2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide

C12H11ClN4OS — CID 114219527

IUPAC2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C3CC3)cs2)nc(Cl)n1
InChIInChI=1S/C12H11ClN4OS/c1-6-4-8(15-11(13)14-6)10(18)17-12-16-9(5-19-12)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,16,17,18)
InChIKeyXURPVKLWGITYNE-UHFFFAOYSA-N
MW294.77 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219527) has the molecular formula C12H11ClN4OS and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219527
Molecular FormulaC12H11ClN4OS
Molecular Weight294.77 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C3CC3)cs2)nc(Cl)n1
InChIInChI=1S/C12H11ClN4OS/c1-6-4-8(15-11(13)14-6)10(18)17-12-16-9(5-19-12)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,16,17,18)
InChIKeyXURPVKLWGITYNE-UHFFFAOYSA-N
XLogP3.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62249664
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide (CID 114219527) is 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2nc(C3CC3)cs2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is XURPVKLWGITYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4OS/c1-6-4-8(15-11(13)14-6)10(18)17-12-16-9(5-19-12)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 294.77 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).