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CAS 1145656-36-5 N-(3,5-Dimethyl-2(3H)-thiazolylidene)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide molecular structure lightbox
CAS RN: 1145656-36-5

N-(3,5-Dimethyl-2(3H)-thiazolylidene)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

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Batchno.20250416 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1145656-36-5
  • Purity/Analytical Methods: >99.0%
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1145656-36-5 / N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

N-((2Z)-3,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda6,2-benzothiazine-3-carboxamide | N-[(2Z)-3,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda6,2-benzothiazine-3-carboxamide | RefChem:822948

Standard CAS: 1145656-36-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1145656-36-5
Multi CAS
No
Molecular Formula
C15H15N3O4S2
Molecular Weight
365.400000
Exact Mass
365.050398
SMILES
CC1=CN(C(=NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O)S1)C
InChI
InChI=1S/C15H15N3O4S2/c1-9-8-17(2)15(23-9)16-14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)3/h4-8,19H,1-3H3
InChIKey
FKCKPQZEMYTSCC-UHFFFAOYSA-N
Synonyms
N-((2Z)-3,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda6,2-benzothiazine-3-carboxamide N-[(2Z)-3,5-dimethyl-2,3-dihydro-1,3-thiazol-2-ylidene]-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda6,2-benzothiazine-3-carboxamide RefChem:822948 111-156-5 (Z)-N'-Methylmeloxicam

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.54
TPSA
91.97

LogP / Solubility

WLOGP
1.38
MLOGP
1.24
XLogP3
1.9
Consensus LogP
1.51
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501 P264, P270, P301+P316, P321, P330, P405, and P501

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