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

C16H15N5OS — CID 58236230

IUPAC4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC(C)c1ncccn1
InChIInChI=1S/C16H15N5OS/c1-10-13(23-16(21-10)12-5-3-6-17-9-12)15(22)20-11(2)14-18-7-4-8-19-14/h3-9,11H,1-2H3,(H,20,22)
InChIKeyGQIQIIHVILOXHA-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.79
Rot. Bonds4

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

4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236230) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236230
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC(C)c1ncccn1
InChIInChI=1S/C16H15N5OS/c1-10-13(23-16(21-10)12-5-3-6-17-9-12)15(22)20-11(2)14-18-7-4-8-19-14/h3-9,11H,1-2H3,(H,20,22)
InChIKeyGQIQIIHVILOXHA-UHFFFAOYSA-N
XLogP2.79
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
N-[1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 19616981
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 29092301
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 30134184
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100801716
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 58236230) is 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NC(C)c1ncccn1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GQIQIIHVILOXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-13(23-16(21-10)12-5-3-6-17-9-12)15(22)20-11(2)14-18-7-4-8-19-14/h3-9,11H,1-2H3,(H,20,22).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.79, 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-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).