N-(4-chlorophenyl)thiadiazole-4-carboxamide

C9H6ClN3OS — CID 712780

IUPACN-(4-chlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csnn1
InChIInChI=1S/C9H6ClN3OS/c10-6-1-3-7(4-2-6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14)
InChIKeyLEVOVHCXPWAGFR-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

About N-(4-chlorophenyl)thiadiazole-4-carboxamide

N-(4-chlorophenyl)thiadiazole-4-carboxamide (PubChem CID 712780) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)thiadiazole-4-carboxamide
PubChem CID712780
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC NameN-(4-chlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csnn1
InChIInChI=1S/C9H6ClN3OS/c10-6-1-3-7(4-2-6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14)
InChIKeyLEVOVHCXPWAGFR-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)thiadiazole-4-carboxamide (CID 712780) is N-(4-chlorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)thiadiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1csnn1.
What is the InChIKey of N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The InChIKey is LEVOVHCXPWAGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-6-1-3-7(4-2-6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14).
What are the key properties of N-(4-chlorophenyl)thiadiazole-4-carboxamide?
N-(4-chlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 712780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).