4-pentoxy-N-(thiatriazol-5-yl)benzamide

C13H16N4O2S — CID 19114286

IUPAC4-pentoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C13H16N4O2S/c1-2-3-4-9-19-11-7-5-10(6-8-11)12(18)14-13-15-16-17-20-13/h5-8H,2-4,9H2,1H3,(H,14,15,17,18)
InChIKeyMRNJHIMJYAWUBX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.75
Rot. Bonds7

About 4-pentoxy-N-(thiatriazol-5-yl)benzamide

4-pentoxy-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114286) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-pentoxy-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-pentoxy-N-(thiatriazol-5-yl)benzamide
PubChem CID19114286
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-pentoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C13H16N4O2S/c1-2-3-4-9-19-11-7-5-10(6-8-11)12(18)14-13-15-16-17-20-13/h5-8H,2-4,9H2,1H3,(H,14,15,17,18)
InChIKeyMRNJHIMJYAWUBX-UHFFFAOYSA-N
XLogP2.75
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.75
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

4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
CID 19114290
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
4-heptoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 101189422
4-pentoxybenzohydrazide
CID 2727702
4-heptoxy-N-methylbenzamide
CID 3291691
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41235388
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-pentoxy-N-(thiatriazol-5-yl)benzamide (CID 19114286) is 4-pentoxy-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-pentoxy-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-pentoxy-N-(thiatriazol-5-yl)benzamide is CCCCCOc1ccc(C(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-pentoxy-N-(thiatriazol-5-yl)benzamide?
The InChIKey is MRNJHIMJYAWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-3-4-9-19-11-7-5-10(6-8-11)12(18)14-13-15-16-17-20-13/h5-8H,2-4,9H2,1H3,(H,14,15,17,18).
What are the key properties of 4-pentoxy-N-(thiatriazol-5-yl)benzamide?
4-pentoxy-N-(thiatriazol-5-yl)benzamide has a molecular weight of 292.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).