1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol

C18H24N4O2S — CID 146046723

IUPAC1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol
SMILESCCOCCn1nc(C(C)O)nc1CCCc1nc2ccccc2s1
InChIInChI=1S/C18H24N4O2S/c1-3-24-12-11-22-16(20-18(21-22)13(2)23)9-6-10-17-19-14-7-4-5-8-15(14)25-17/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3
InChIKeyPTYPBRJXQICBJC-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.15
Rot. Bonds9

About 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol

1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 146046723) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID146046723
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol
SMILESCCOCCn1nc(C(C)O)nc1CCCc1nc2ccccc2s1
InChIInChI=1S/C18H24N4O2S/c1-3-24-12-11-22-16(20-18(21-22)13(2)23)9-6-10-17-19-14-7-4-5-8-15(14)25-17/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3
InChIKeyPTYPBRJXQICBJC-UHFFFAOYSA-N
XLogP3.15
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole
CID 154565078
2-[5-[4-(1,3-benzothiazol-2-yl)butyl]-1-butyl-1,2,4-triazol-3-yl]acetamide
CID 154823431
5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine
CID 79818955
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
6-(1,3-benzothiazol-2-yl)-2-methylhexan-3-amine
CID 79818307
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
CID 45077749
[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
4-(1,3-benzothiazol-2-yl)-2-methylbutanoic acid
CID 69373746
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol (CID 146046723) is 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol is CCOCCn1nc(C(C)O)nc1CCCc1nc2ccccc2s1.
What is the InChIKey of 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is PTYPBRJXQICBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-24-12-11-22-16(20-18(21-22)13(2)23)9-6-10-17-19-14-7-4-5-8-15(14)25-17/h4-5,7-8,13,23H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol?
1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 360.48 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 146046723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).