2-cyclopropyl-1,3-thiazole-4-carbonitrile

C7H6N2S — CID 82651504

IUPAC2-cyclopropyl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(C2CC2)n1
InChIInChI=1S/C7H6N2S/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-2H2
InChIKeyYUHSHLYKQPORFT-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.89
Rot. Bonds1

About 2-cyclopropyl-1,3-thiazole-4-carbonitrile

2-cyclopropyl-1,3-thiazole-4-carbonitrile (PubChem CID 82651504) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-1,3-thiazole-4-carbonitrile
PubChem CID82651504
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2-cyclopropyl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(C2CC2)n1
InChIInChI=1S/C7H6N2S/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-2H2
InChIKeyYUHSHLYKQPORFT-UHFFFAOYSA-N
XLogP1.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1,3-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-1,3-thiazole-4-carbonitrile (CID 82651504) is 2-cyclopropyl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-1,3-thiazole-4-carbonitrile is N#Cc1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1,3-thiazole-4-carbonitrile?
The InChIKey is YUHSHLYKQPORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-2H2.
What are the key properties of 2-cyclopropyl-1,3-thiazole-4-carbonitrile?
2-cyclopropyl-1,3-thiazole-4-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82651504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).