2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C12H14N4O2S — CID 97427978

IUPAC2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn([C@H]3CCOC3)c2)cs1
InChIInChI=1S/C12H14N4O2S/c1-8-14-11(7-19-8)12(17)15-9-4-13-16(5-9)10-2-3-18-6-10/h4-5,7,10H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyIWFGKHXKYRHQSA-JTQLQIEISA-N
MW278.34 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97427978) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID97427978
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn([C@H]3CCOC3)c2)cs1
InChIInChI=1S/C12H14N4O2S/c1-8-14-11(7-19-8)12(17)15-9-4-13-16(5-9)10-2-3-18-6-10/h4-5,7,10H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyIWFGKHXKYRHQSA-JTQLQIEISA-N
XLogP1.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-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-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 97427978) is 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cnn([C@H]3CCOC3)c2)cs1.
What is the InChIKey of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IWFGKHXKYRHQSA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-14-11(7-19-8)12(17)15-9-4-13-16(5-9)10-2-3-18-6-10/h4-5,7,10H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97427978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).