N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide

C12H9F3N4O2S — CID 6422905

IUPACN-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H9F3N4O2S/c1-6(20)16-7-2-4-8(5-3-7)17-9(21)10-18-19-11(22-10)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,21)
InChIKeyCXVHVMOIMAZLMO-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.77
Rot. Bonds3

About N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide

N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 6422905) has the molecular formula C12H9F3N4O2S and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID6422905
Molecular FormulaC12H9F3N4O2S
Molecular Weight330.29 g/mol
Exact Mass330.04
IUPAC NameN-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H9F3N4O2S/c1-6(20)16-7-2-4-8(5-3-7)17-9(21)10-18-19-11(22-10)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,21)
InChIKeyCXVHVMOIMAZLMO-UHFFFAOYSA-N
XLogP2.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55829286
N-(4-acetamidophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696392
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
5-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 33484728
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 39869937
5-(aminomethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46318372
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide (CID 6422905) is N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CXVHVMOIMAZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2S/c1-6(20)16-7-2-4-8(5-3-7)17-9(21)10-18-19-11(22-10)12(13,14)15/h2-5H,1H3,(H,16,20)(H,17,21).
What are the key properties of N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide?
N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 6422905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).