N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide

C16H12FN3OS2 — CID 11382379

IUPACN-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CSc2nncs2)cc1
InChIInChI=1S/C16H12FN3OS2/c17-13-5-7-14(8-6-13)19-15(21)12-3-1-11(2-4-12)9-22-16-20-18-10-23-16/h1-8,10H,9H2,(H,19,21)
InChIKeyDXPMHTQKYPBRIX-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.22
Rot. Bonds5

About N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide

N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 11382379) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
PubChem CID11382379
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC NameN-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CSc2nncs2)cc1
InChIInChI=1S/C16H12FN3OS2/c17-13-5-7-14(8-6-13)19-15(21)12-3-1-11(2-4-12)9-22-16-20-18-10-23-16/h1-8,10H,9H2,(H,19,21)
InChIKeyDXPMHTQKYPBRIX-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 47096414
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 78766467
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 47096381
N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377540
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7760139
N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
3,5-diacetamido-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2542260
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide (CID 11382379) is N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(CSc2nncs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is DXPMHTQKYPBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-13-5-7-14(8-6-13)19-15(21)12-3-1-11(2-4-12)9-22-16-20-18-10-23-16/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 345.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 11382379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).