1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

C11H15IN4OS — CID 112755592

IUPAC1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CC(O)c1ncc(I)s1
InChIInChI=1S/C11H15IN4OS/c1-7(2)5-16-10(14-6-15-16)3-8(17)11-13-4-9(12)18-11/h4,6-8,17H,3,5H2,1-2H3
InChIKeyWRQNLADHOYAWHP-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.27
Rot. Bonds5

About 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 112755592) has the molecular formula C11H15IN4OS and a molecular weight of 378.24 g/mol. Its IUPAC name is 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID112755592
Molecular FormulaC11H15IN4OS
Molecular Weight378.24 g/mol
Exact Mass378.00
IUPAC Name1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CC(O)c1ncc(I)s1
InChIInChI=1S/C11H15IN4OS/c1-7(2)5-16-10(14-6-15-16)3-8(17)11-13-4-9(12)18-11/h4,6-8,17H,3,5H2,1-2H3
InChIKeyWRQNLADHOYAWHP-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-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

1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
1-(3-chloro-4-iodophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 103216914
1-(1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814230
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
1-(3,5-dichloro-2-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 79780044
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360
3-ethyl-3-methoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 116752928
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-ol
CID 115814294
1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 107103397
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
1-(3-bromo-4-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115566519
1-(2-bromo-3-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814180

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (CID 112755592) is 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is CC(C)Cn1ncnc1CC(O)c1ncc(I)s1.
What is the InChIKey of 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is WRQNLADHOYAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4OS/c1-7(2)5-16-10(14-6-15-16)3-8(17)11-13-4-9(12)18-11/h4,6-8,17H,3,5H2,1-2H3.
What are the key properties of 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 378.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1,3-thiazol-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 112755592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).