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

C13H13N5OS2 — CID 167936632

IUPAC2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3nccn3C)cs2)s1
InChIInChI=1S/C13H13N5OS2/c1-7-10(21-8(2)15-7)12(19)17-13-16-9(6-20-13)11-14-4-5-18(11)3/h4-6H,1-3H3,(H,16,17,19)
InChIKeyGLOLINWZPOAFRA-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.87
Rot. Bonds3

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

2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 167936632) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID167936632
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3nccn3C)cs2)s1
InChIInChI=1S/C13H13N5OS2/c1-7-10(21-8(2)15-7)12(19)17-13-16-9(6-20-13)11-14-4-5-18(11)3/h4-6H,1-3H3,(H,16,17,19)
InChIKeyGLOLINWZPOAFRA-UHFFFAOYSA-N
XLogP2.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 167797101
5-methyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167960553
N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 126771267
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 166377921
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 75489730
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8928359

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 167936632) is 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nc(-c3nccn3C)cs2)s1.
What is the InChIKey of 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GLOLINWZPOAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-7-10(21-8(2)15-7)12(19)17-13-16-9(6-20-13)11-14-4-5-18(11)3/h4-6H,1-3H3,(H,16,17,19).
What are the key properties of 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167936632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).