N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide

C10H7ClN4O2S — CID 2739118

IUPACN-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=O)c1csnn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4O2S/c11-6-1-3-7(4-2-6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17)
InChIKeyHMVPXUXYXYSQAQ-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.15
Rot. Bonds2

About N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide

N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide (PubChem CID 2739118) has the molecular formula C10H7ClN4O2S and a molecular weight of 282.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide
PubChem CID2739118
Molecular FormulaC10H7ClN4O2S
Molecular Weight282.71 g/mol
Exact Mass282.00
IUPAC NameN-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=O)c1csnn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN4O2S/c11-6-1-3-7(4-2-6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17)
InChIKeyHMVPXUXYXYSQAQ-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide (CID 2739118) is N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide is O=C(NC(=O)c1csnn1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The InChIKey is HMVPXUXYXYSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2S/c11-6-1-3-7(4-2-6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide?
N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide has a molecular weight of 282.71 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 2739118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).