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

C13H12N6OS — CID 122301120

IUPAC4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cnc(-n2ccnc2C)nc1
InChIInChI=1S/C13H12N6OS/c1-8-11(21-7-17-8)12(20)18-10-5-15-13(16-6-10)19-4-3-14-9(19)2/h3-7H,1-2H3,(H,18,20)
InChIKeyVDEFVTYPNQEYOG-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.99
Rot. Bonds3

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

4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 122301120) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID122301120
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cnc(-n2ccnc2C)nc1
InChIInChI=1S/C13H12N6OS/c1-8-11(21-7-17-8)12(20)18-10-5-15-13(16-6-10)19-4-3-14-9(19)2/h3-7H,1-2H3,(H,18,20)
InChIKeyVDEFVTYPNQEYOG-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301424
4-methyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122291920
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103816486
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122301114
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 71789920
(E)-3-(4-methoxyphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301086
1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 121112797
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (CID 122301120) is 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cnc(-n2ccnc2C)nc1.
What is the InChIKey of 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VDEFVTYPNQEYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-11(21-7-17-8)12(20)18-10-5-15-13(16-6-10)19-4-3-14-9(19)2/h3-7H,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122301120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).