1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol

C16H17FN4OS — CID 164718740

IUPAC1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2csnc2-c2ccc(F)cc2C(C)O)nn1
InChIInChI=1S/C16H17FN4OS/c1-3-21-8-13(18-20-21)6-11-9-23-19-16(11)14-5-4-12(17)7-15(14)10(2)22/h4-5,7-10,22H,3,6H2,1-2H3
InChIKeyQRJFQCZIGXDNCE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.20
Rot. Bonds5

About 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol

1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol (PubChem CID 164718740) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol
PubChem CID164718740
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2csnc2-c2ccc(F)cc2C(C)O)nn1
InChIInChI=1S/C16H17FN4OS/c1-3-21-8-13(18-20-21)6-11-9-23-19-16(11)14-5-4-12(17)7-15(14)10(2)22/h4-5,7-10,22H,3,6H2,1-2H3
InChIKeyQRJFQCZIGXDNCE-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]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

4-[(1-ethyltriazol-4-yl)methyl]-3-(4-fluoro-2-iodophenyl)-1,2-thiazole
CID 164718963
5-[[3-[4-fluoro-2-(1-hydroxyethyl)phenyl]-1,2-thiazol-4-yl]methyl]-1-methylpyrazole-3-carbonitrile
CID 164718976
(1R)-1-[2-[5-[(5-ethyl-1,2-thiazol-3-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
CID 166559916
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
CID 112719733
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270552
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
1-ethyl-4-[[3-(2-methylpropyl)phenyl]methyl]triazole
CID 126551634
bis(1,4-diethyltriazole);ethane
CID 160569546
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
5-bromo-3-fluoro-2-nitropyridine;(1R)-1-[2-[1-tert-butyl-4-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluorophenyl]ethanol
CID 165085846
1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
CID 164719158
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol (CID 164718740) is 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2csnc2-c2ccc(F)cc2C(C)O)nn1.
What is the InChIKey of 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol?
The InChIKey is QRJFQCZIGXDNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-3-21-8-13(18-20-21)6-11-9-23-19-16(11)14-5-4-12(17)7-15(14)10(2)22/h4-5,7-10,22H,3,6H2,1-2H3.
What are the key properties of 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol?
1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol has a molecular weight of 332.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1-ethyltriazol-4-yl)methyl]-1,2-thiazol-3-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).