N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide

C15H15N5OS — CID 100825091

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)s1
InChIInChI=1S/C15H15N5OS/c1-3-13-18-19-15(22-13)17-14(21)12-8-20(9-16-12)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,19,21)
InChIKeyFXKAVOOZBRQYQY-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.85
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide (PubChem CID 100825091) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide
PubChem CID100825091
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)s1
InChIInChI=1S/C15H15N5OS/c1-3-13-18-19-15(22-13)17-14(21)12-8-20(9-16-12)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,19,21)
InChIKeyFXKAVOOZBRQYQY-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 4786773
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
ethyl 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 43993199
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081137
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-1-benzothiophene-2-carboxamide
CID 2931449
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 55630949

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide (CID 100825091) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide is CCc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide?
The InChIKey is FXKAVOOZBRQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-3-13-18-19-15(22-13)17-14(21)12-8-20(9-16-12)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 100825091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).