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

C15H11ClN4OS — CID 1499111

IUPAC5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nnsc1Nc1ccccc1
InChIInChI=1S/C15H11ClN4OS/c16-10-6-8-12(9-7-10)17-14(21)13-15(22-20-19-13)18-11-4-2-1-3-5-11/h1-9,18H,(H,17,21)
InChIKeyWZAHZFIVJBBSAG-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.19
Rot. Bonds4

About 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide

5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide (PubChem CID 1499111) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
PubChem CID1499111
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nnsc1Nc1ccccc1
InChIInChI=1S/C15H11ClN4OS/c16-10-6-8-12(9-7-10)17-14(21)13-15(22-20-19-13)18-11-4-2-1-3-5-11/h1-9,18H,(H,17,21)
InChIKeyWZAHZFIVJBBSAG-UHFFFAOYSA-N
XLogP4.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5C(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
5-(4-aminoanilino)thiadiazole-4-carboxamide
CID 1499191
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
CID 134912462
N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide
CID 23241705
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
2,6-diamino-N-(4-chlorophenyl)-5-phenylpyrimidine-4-carboxamide
CID 51059742

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide (CID 1499111) is 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nnsc1Nc1ccccc1.
What is the InChIKey of 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide?
The InChIKey is WZAHZFIVJBBSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-10-6-8-12(9-7-10)17-14(21)13-15(22-20-19-13)18-11-4-2-1-3-5-11/h1-9,18H,(H,17,21).
What are the key properties of 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide?
5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1499111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).