4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide

C11H10N4O2S — CID 19114290

IUPAC4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
SMILESC=CCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C11H10N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h2-6H,1,7H2,(H,12,13,15,16)
InChIKeyITBWMXHTIODXBW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.75
Rot. Bonds5

About 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide

4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114290) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
PubChem CID19114290
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
SMILESC=CCOc1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C11H10N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h2-6H,1,7H2,(H,12,13,15,16)
InChIKeyITBWMXHTIODXBW-UHFFFAOYSA-N
XLogP1.75
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide (CID 19114290) is 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide is C=CCOc1ccc(C(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide?
The InChIKey is ITBWMXHTIODXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-2-7-17-9-5-3-8(4-6-9)10(16)12-11-13-14-15-18-11/h2-6H,1,7H2,(H,12,13,15,16).
What are the key properties of 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide?
4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide has a molecular weight of 262.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).