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

C18H16N4OS — CID 94823559

IUPAC4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N4OS/c1-11-15(24-18(21-11)16-19-8-5-9-20-16)17(23)22-14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyVNKFUIQDLQKQSO-ZIAGYGMSSA-N
MW336.42 g/mol
LogP3.19
Rot. Bonds4

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

4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 94823559) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID94823559
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N4OS/c1-11-15(24-18(21-11)16-19-8-5-9-20-16)17(23)22-14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyVNKFUIQDLQKQSO-ZIAGYGMSSA-N
XLogP3.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 10106577
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
CID 134108990
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 97002812
(2R)-3-methyl-2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119368319
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 94823559) is 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VNKFUIQDLQKQSO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-15(24-18(21-11)16-19-8-5-9-20-16)17(23)22-14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,22,23)/t13-,14-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).