2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C13H16N4OS — CID 91629621

IUPAC2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cnn3c2CCCC3)cs1
InChIInChI=1S/C13H16N4OS/c1-9-16-11(8-19-9)13(18)14-6-10-7-15-17-5-3-2-4-12(10)17/h7-8H,2-6H2,1H3,(H,14,18)
InChIKeyUAXCAPYKBCBLDN-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 91629621) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID91629621
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cnn3c2CCCC3)cs1
InChIInChI=1S/C13H16N4OS/c1-9-16-11(8-19-9)13(18)14-6-10-7-15-17-5-3-2-4-12(10)17/h7-8H,2-6H2,1H3,(H,14,18)
InChIKeyUAXCAPYKBCBLDN-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 91629621) is 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cnn3c2CCCC3)cs1.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UAXCAPYKBCBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-16-11(8-19-9)13(18)14-6-10-7-15-17-5-3-2-4-12(10)17/h7-8H,2-6H2,1H3,(H,14,18).
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91629621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).