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

C16H15N5OS — CID 94588634

IUPAC4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C16H15N5OS/c1-10(12-6-3-4-7-17-12)20-15(22)13-11(2)21-16(23-13)14-18-8-5-9-19-14/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyWVNMCYKRTRYHBU-SNVBAGLBSA-N
MW325.40 g/mol
LogP2.79
Rot. Bonds4

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

4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 94588634) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID94588634
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C16H15N5OS/c1-10(12-6-3-4-7-17-12)20-15(22)13-11(2)21-16(23-13)14-18-8-5-9-19-14/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyWVNMCYKRTRYHBU-SNVBAGLBSA-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

Analyze 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 62793747
(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119368319
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51961966
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 51599963
4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97313604
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052697
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 94588634) is 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WVNMCYKRTRYHBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10(12-6-3-4-7-17-12)20-15(22)13-11(2)21-16(23-13)14-18-8-5-9-19-14/h3-10H,1-2H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-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-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94588634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).