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

C12H13ClN4OS — CID 47459161

IUPAC5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2nc(C(C)C)ncc2Cl)s1
InChIInChI=1S/C12H13ClN4OS/c1-6(2)10-14-5-8(13)9(16-10)11(18)17-12-15-4-7(3)19-12/h4-6H,1-3H3,(H,15,17,18)
InChIKeyGTCMUJPEMGTVOD-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.27
Rot. Bonds3

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

5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 47459161) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID47459161
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2nc(C(C)C)ncc2Cl)s1
InChIInChI=1S/C12H13ClN4OS/c1-6(2)10-14-5-8(13)9(16-10)11(18)17-12-15-4-7(3)19-12/h4-6H,1-3H3,(H,15,17,18)
InChIKeyGTCMUJPEMGTVOD-UHFFFAOYSA-N
XLogP3.27
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 47459161) is 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is Cc1cnc(NC(=O)c2nc(C(C)C)ncc2Cl)s1.
What is the InChIKey of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GTCMUJPEMGTVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-6(2)10-14-5-8(13)9(16-10)11(18)17-12-15-4-7(3)19-12/h4-6H,1-3H3,(H,15,17,18).
What are the key properties of 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47459161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).