5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide

C16H11ClFN3OS2 — CID 170103472

IUPAC5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2Sc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClFN3OS2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(24-21-20-14)23-11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22)
InChIKeyUSOOAFHXHRDVAD-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.04
Rot. Bonds4

About 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide

5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 170103472) has the molecular formula C16H11ClFN3OS2 and a molecular weight of 379.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID170103472
Molecular FormulaC16H11ClFN3OS2
Molecular Weight379.87 g/mol
Exact Mass379.00
IUPAC Name5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnsc2Sc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C16H11ClFN3OS2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(24-21-20-14)23-11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22)
InChIKeyUSOOAFHXHRDVAD-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)sulfonyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103491
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
3-chloro-N-(2-fluoro-4-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186223
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
CID 542426
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
2-amino-6-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-carboxamide
CID 62151947

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide (CID 170103472) is 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2nnsc2Sc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is USOOAFHXHRDVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS2/c1-9-2-7-13(12(18)8-9)19-15(22)14-16(24-21-20-14)23-11-5-3-10(17)4-6-11/h2-8H,1H3,(H,19,22).
What are the key properties of 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide?
5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 170103472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).