2-butoxy-N-(thiatriazol-5-yl)benzamide

C12H14N4O2S — CID 19114331

IUPAC2-butoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nnns1
InChIInChI=1S/C12H14N4O2S/c1-2-3-8-18-10-7-5-4-6-9(10)11(17)13-12-14-15-16-19-12/h4-7H,2-3,8H2,1H3,(H,13,14,16,17)
InChIKeyLSMOJYLRAGXBMQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.36
Rot. Bonds6

About 2-butoxy-N-(thiatriazol-5-yl)benzamide

2-butoxy-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114331) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-butoxy-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-butoxy-N-(thiatriazol-5-yl)benzamide
PubChem CID19114331
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-butoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nnns1
InChIInChI=1S/C12H14N4O2S/c1-2-3-8-18-10-7-5-4-6-9(10)11(17)13-12-14-15-16-19-12/h4-7H,2-3,8H2,1H3,(H,13,14,16,17)
InChIKeyLSMOJYLRAGXBMQ-UHFFFAOYSA-N
XLogP2.36
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 18854016
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-butoxy-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864518
2-pentoxybenzohydrazide
CID 54793215
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 2-butoxy-N-(thiatriazol-5-yl)benzamide (CID 19114331) is 2-butoxy-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 2-butoxy-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 2-butoxy-N-(thiatriazol-5-yl)benzamide is CCCCOc1ccccc1C(=O)Nc1nnns1.
What is the InChIKey of 2-butoxy-N-(thiatriazol-5-yl)benzamide?
The InChIKey is LSMOJYLRAGXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-3-8-18-10-7-5-4-6-9(10)11(17)13-12-14-15-16-19-12/h4-7H,2-3,8H2,1H3,(H,13,14,16,17).
What are the key properties of 2-butoxy-N-(thiatriazol-5-yl)benzamide?
2-butoxy-N-(thiatriazol-5-yl)benzamide has a molecular weight of 278.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).