5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide

C9H7ClN4OS — CID 114911491

IUPAC5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnns2)c1
InChIInChI=1S/C9H7ClN4OS/c10-7-2-1-5(11)3-6(7)9(15)13-8-4-12-14-16-8/h1-4H,11H2,(H,13,15)
InChIKeyNBKDTZUUSRZFCF-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide

5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide (PubChem CID 114911491) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
PubChem CID114911491
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnns2)c1
InChIInChI=1S/C9H7ClN4OS/c10-7-2-1-5(11)3-6(7)9(15)13-8-4-12-14-16-8/h1-4H,11H2,(H,13,15)
InChIKeyNBKDTZUUSRZFCF-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114912729
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 99789672
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570
5-amino-N-(thiadiazol-5-yl)-1H-indazole-3-carboxamide
CID 114911484
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
2-amino-5-bromo-N-(thiadiazol-5-yl)pyridine-3-carboxamide
CID 114914151
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
2-amino-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914190
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
4-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 103282577

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide (CID 114911491) is 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2cnns2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is NBKDTZUUSRZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-7-2-1-5(11)3-6(7)9(15)13-8-4-12-14-16-8/h1-4H,11H2,(H,13,15).
What are the key properties of 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide?
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide has a molecular weight of 254.70 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114911491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).