2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide

C14H14N2OS — CID 10106577

IUPAC2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2c2ccccc2)s1
InChIInChI=1S/C14H14N2OS/c1-9-15-8-13(18-9)14(17)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17)
InChIKeyPUXMYJIVSBYVQR-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide (PubChem CID 10106577) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
PubChem CID10106577
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2c2ccccc2)s1
InChIInChI=1S/C14H14N2OS/c1-9-15-8-13(18-9)14(17)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17)
InChIKeyPUXMYJIVSBYVQR-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide 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-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide (CID 10106577) is 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC2CC2c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PUXMYJIVSBYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-15-8-13(18-9)14(17)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).