5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C14H15ClN4OS — CID 62015173

IUPAC5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C14H15ClN4OS/c1-7(2)12-16-5-9(15)11(18-12)13(20)19-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyYFJIIPIRARNOPG-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.84
Rot. Bonds4

About 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62015173) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62015173
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C14H15ClN4OS/c1-7(2)12-16-5-9(15)11(18-12)13(20)19-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyYFJIIPIRARNOPG-UHFFFAOYSA-N
XLogP3.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142
5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086335
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 78928205
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
CID 114219527
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62015173) is 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C3CC3)cs2)n1.
What is the InChIKey of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YFJIIPIRARNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-7(2)12-16-5-9(15)11(18-12)13(20)19-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62015173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).