N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide

C16H10F3N3OS — CID 84579277

IUPACN-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cnns2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)13-4-2-1-3-12(13)15(23)21-11-7-5-10(6-8-11)14-9-20-22-24-14/h1-9H,(H,21,23)
InChIKeyAMWGEMBRWPBBOB-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.48
Rot. Bonds3

About N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide

N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 84579277) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID84579277
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cnns2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)13-4-2-1-3-12(13)15(23)21-11-7-5-10(6-8-11)14-9-20-22-24-14/h1-9H,(H,21,23)
InChIKeyAMWGEMBRWPBBOB-UHFFFAOYSA-N
XLogP4.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532788
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 49423447
N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
CID 71797723
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 84579277) is N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2cnns2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is AMWGEMBRWPBBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)13-4-2-1-3-12(13)15(23)21-11-7-5-10(6-8-11)14-9-20-22-24-14/h1-9H,(H,21,23).
What are the key properties of N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 349.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 84579277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).