5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

C9H4ClF2N3OS — CID 80625143

IUPAC5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF2N3OS/c10-9-15-14-8(17-9)7(16)13-6-2-1-4(11)3-5(6)12/h1-3H,(H,13,16)
InChIKeyFEYDMONTHSPFDW-UHFFFAOYSA-N
MW275.67 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625143) has the molecular formula C9H4ClF2N3OS and a molecular weight of 275.67 g/mol. Its IUPAC name is 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625143
Molecular FormulaC9H4ClF2N3OS
Molecular Weight275.67 g/mol
Exact Mass274.97
IUPAC Name5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF2N3OS/c10-9-15-14-8(17-9)7(16)13-6-2-1-4(11)3-5(6)12/h1-3H,(H,13,16)
InChIKeyFEYDMONTHSPFDW-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
N-(2,4-difluorophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696408
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625143) is 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FEYDMONTHSPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N3OS/c10-9-15-14-8(17-9)7(16)13-6-2-1-4(11)3-5(6)12/h1-3H,(H,13,16).
What are the key properties of 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 275.67 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).