N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide

C15H11N5OS — CID 59615715

IUPACN-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1C#Cc1cccnc1
InChIInChI=1S/C15H11N5OS/c1-11-13(5-4-12-3-2-6-16-9-12)22-14(18-11)19-15(21)20-8-7-17-10-20/h2-3,6-10H,1H3,(H,18,19,21)
InChIKeyAEWRHFYXJGDGRL-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.52
Rot. Bonds1

About N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 59615715) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID59615715
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC NameN-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESCc1nc(NC(=O)n2ccnc2)sc1C#Cc1cccnc1
InChIInChI=1S/C15H11N5OS/c1-11-13(5-4-12-3-2-6-16-9-12)22-14(18-11)19-15(21)20-8-7-17-10-20/h2-3,6-10H,1H3,(H,18,19,21)
InChIKeyAEWRHFYXJGDGRL-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59323900
N-[5-[2-(2-fluorophenyl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293675
N-[4-methyl-5-[2-(1-methylcyclopropyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59293655
N-[4-methyl-5-(2-prop-1-en-2-yl-4-pyridinyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 89096129
N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 71480200
N-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 87291867
N-[4-methyl-5-[2-(2-methylbutan-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91284431
N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 91606298
methyl 2-(imidazole-1-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 130411006
(E)-N-[5-(imidazole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2-methylbut-2-enamide
CID 143575795
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
CID 88547492
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
CID 131101814

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 59615715) is N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1C#Cc1cccnc1.
What is the InChIKey of N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is AEWRHFYXJGDGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-11-13(5-4-12-3-2-6-16-9-12)22-14(18-11)19-15(21)20-8-7-17-10-20/h2-3,6-10H,1H3,(H,18,19,21).
What are the key properties of N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 59615715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).