N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

C14H11F2N5OS — CID 167911938

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C14H11F2N5OS/c1-7-9(18-11(17-7)8-5-3-2-4-6-8)12(22)19-14-21-20-13(23-14)10(15)16/h2-6,10H,1H3,(H,17,18)(H,19,21,22)
InChIKeyQYNSYEPETMASLQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.43
Rot. Bonds4

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (PubChem CID 167911938) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
PubChem CID167911938
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C14H11F2N5OS/c1-7-9(18-11(17-7)8-5-3-2-4-6-8)12(22)19-14-21-20-13(23-14)10(15)16/h2-6,10H,1H3,(H,17,18)(H,19,21,22)
InChIKeyQYNSYEPETMASLQ-UHFFFAOYSA-N
XLogP3.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641
5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 134705328
3-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119745212
N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 166392338
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47076938
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111840643
4-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4680904
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
CID 130744096
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
CID 71946256
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 169208870

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (CID 167911938) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is QYNSYEPETMASLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c1-7-9(18-11(17-7)8-5-3-2-4-6-8)12(22)19-14-21-20-13(23-14)10(15)16/h2-6,10H,1H3,(H,17,18)(H,19,21,22).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 167911938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).