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CAS 100516-71-0 2-Thiazolecarbonitrile, 5-methyl- molecular structure lightbox
CAS RN: 100516-71-0

2-Thiazolecarbonitrile, 5-methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001100
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100516-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100516-71-0 / 5-methyl-1,3-thiazole-2-carbonitrile

5-methylthiazole-2-carbonitrile | 2-Cyano-5-methylthiazole | 5-methyl-1,3-thiazole-2-carbonitrile

Standard CAS: 100516-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100516-71-0
Multi CAS
No
Molecular Formula
C5H4N2S
Molecular Weight
124.170000
Exact Mass
124.009519
SMILES
CC1=CN=C(S1)C#N
InChI
InChI=1S/C5H4N2S/c1-4-3-7-5(2-6)8-4/h3H,1H3
InChIKey
NWVHXGICBVHAAB-UHFFFAOYSA-N
Synonyms
5-methylthiazole-2-carbonitrile 2-Cyano-5-methylthiazole 5-methyl-1,3-thiazole-2-carbonitrile 2-Thiazolecarbonitrile, 5-methyl- MFCD11109818

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
31.57
TPSA
36.68

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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