2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide

C11H11ClN4OS — CID 114219521

IUPAC2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(C)s2)nc(Cl)n1
InChIInChI=1S/C11H11ClN4OS/c1-6-3-9(16-11(12)15-6)10(17)14-5-8-4-13-7(2)18-8/h3-4H,5H2,1-2H3,(H,14,17)
InChIKeyHJVMNZVHYWZQSE-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide

2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 114219521) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
PubChem CID114219521
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(C)s2)nc(Cl)n1
InChIInChI=1S/C11H11ClN4OS/c1-6-3-9(16-11(12)15-6)10(17)14-5-8-4-13-7(2)18-8/h3-4H,5H2,1-2H3,(H,14,17)
InChIKeyHJVMNZVHYWZQSE-UHFFFAOYSA-N
XLogP2.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114220560
6-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61282849
2-chloro-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 62248382
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
6-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035828
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
5-[[[5-[(6-chloro-3-pyridinyl)-(sulfinatoamino)methyl]pyridine-2-carbonyl]amino]methyl]-2-methyl-1,3-thiazole
CID 118072517
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide (CID 114219521) is 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(C)s2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HJVMNZVHYWZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6-3-9(16-11(12)15-6)10(17)14-5-8-4-13-7(2)18-8/h3-4H,5H2,1-2H3,(H,14,17).
What are the key properties of 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 114219521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).