4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C15H13N5OS — CID 58236150

IUPAC4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C15H13N5OS/c1-10-13(14(21)19-9-12-17-6-3-7-18-12)22-15(20-10)11-4-2-5-16-8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyORWMJARYVBOCTL-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.23
Rot. Bonds4

About 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236150) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236150
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C15H13N5OS/c1-10-13(14(21)19-9-12-17-6-3-7-18-12)22-15(20-10)11-4-2-5-16-8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyORWMJARYVBOCTL-UHFFFAOYSA-N
XLogP2.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-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 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 58236150) is 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NCc1ncccn1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ORWMJARYVBOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-13(14(21)19-9-12-17-6-3-7-18-12)22-15(20-10)11-4-2-5-16-8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).