3-amino-N-(thiadiazol-5-yl)benzamide

C9H8N4OS — CID 114911458

IUPAC3-amino-N-(thiadiazol-5-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cnns2)c1
InChIInChI=1S/C9H8N4OS/c10-7-3-1-2-6(4-7)9(14)12-8-5-11-13-15-8/h1-5H,10H2,(H,12,14)
InChIKeyKMISHTWTUGKINP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.37
Rot. Bonds2

About 3-amino-N-(thiadiazol-5-yl)benzamide

3-amino-N-(thiadiazol-5-yl)benzamide (PubChem CID 114911458) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-amino-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(thiadiazol-5-yl)benzamide
PubChem CID114911458
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name3-amino-N-(thiadiazol-5-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cnns2)c1
InChIInChI=1S/C9H8N4OS/c10-7-3-1-2-6(4-7)9(14)12-8-5-11-13-15-8/h1-5H,10H2,(H,12,14)
InChIKeyKMISHTWTUGKINP-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.37
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

2-amino-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914190
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
4-hydroxy-N-(thiadiazol-5-yl)benzamide
CID 114912827
4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid
CID 114913611
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
2-(ethylamino)-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914267
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
2-chloro-6-hydrazinyl-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914433

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-amino-N-(thiadiazol-5-yl)benzamide (CID 114911458) is 3-amino-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-amino-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-amino-N-(thiadiazol-5-yl)benzamide is Nc1cccc(C(=O)Nc2cnns2)c1.
What is the InChIKey of 3-amino-N-(thiadiazol-5-yl)benzamide?
The InChIKey is KMISHTWTUGKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-7-3-1-2-6(4-7)9(14)12-8-5-11-13-15-8/h1-5H,10H2,(H,12,14).
What are the key properties of 3-amino-N-(thiadiazol-5-yl)benzamide?
3-amino-N-(thiadiazol-5-yl)benzamide has a molecular weight of 220.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114911458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).