5-amino-N-butylthiadiazole-4-carboxamide

C7H12N4OS — CID 2721175

IUPAC5-amino-N-butylthiadiazole-4-carboxamide
SMILESCCCCNC(=O)c1nnsc1N
InChIInChI=1S/C7H12N4OS/c1-2-3-4-9-7(12)5-6(8)13-11-10-5/h2-4,8H2,1H3,(H,9,12)
InChIKeyXXRZGJHUWSNRCM-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.65
Rot. Bonds4

About 5-amino-N-butylthiadiazole-4-carboxamide

5-amino-N-butylthiadiazole-4-carboxamide (PubChem CID 2721175) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-amino-N-butylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butylthiadiazole-4-carboxamide
PubChem CID2721175
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name5-amino-N-butylthiadiazole-4-carboxamide
SMILESCCCCNC(=O)c1nnsc1N
InChIInChI=1S/C7H12N4OS/c1-2-3-4-9-7(12)5-6(8)13-11-10-5/h2-4,8H2,1H3,(H,9,12)
InChIKeyXXRZGJHUWSNRCM-UHFFFAOYSA-N
XLogP0.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride
CID 131038150
5-amino-N-ethyl-N-methylthiadiazole-4-carboxamide;hydrochloride
CID 130637657
5-amino-N-butyl-2H-triazole-4-carboxamide
CID 110484769
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963
S-ethyl 5-aminothiadiazole-4-carbothioate
CID 117214879
N-butyl-1,2,3-benzothiadiazole-6-carboxamide
CID 17015087
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
butylurea;silicic acid
CID 86735760
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
2-N-butyl-6-methylpyridine-2,3-dicarboxamide
CID 172855038

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butylthiadiazole-4-carboxamide?
The IUPAC name of 5-amino-N-butylthiadiazole-4-carboxamide (CID 2721175) is 5-amino-N-butylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butylthiadiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butylthiadiazole-4-carboxamide is CCCCNC(=O)c1nnsc1N.
What is the InChIKey of 5-amino-N-butylthiadiazole-4-carboxamide?
The InChIKey is XXRZGJHUWSNRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-3-4-9-7(12)5-6(8)13-11-10-5/h2-4,8H2,1H3,(H,9,12).
What are the key properties of 5-amino-N-butylthiadiazole-4-carboxamide?
5-amino-N-butylthiadiazole-4-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butylthiadiazole-4-carboxamide is sourced from PubChem (CID 2721175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).