2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol

C15H18ClNOS — CID 79819548

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClNOS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-5-4-6-11(16)7-10/h4-7,9,12,18H,8H2,1-3H3
InChIKeyKPPVFNOWSZNWKZ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol (PubChem CID 79819548) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
PubChem CID79819548
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClNOS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-5-4-6-11(16)7-10/h4-7,9,12,18H,8H2,1-3H3
InChIKeyKPPVFNOWSZNWKZ-UHFFFAOYSA-N
XLogP4.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)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-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
4-tert-butyl-2-(3-chloro-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846384
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol (CID 79819548) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol is CC(C)(C)c1csc(CC(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol?
The InChIKey is KPPVFNOWSZNWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-5-4-6-11(16)7-10/h4-7,9,12,18H,8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol has a molecular weight of 295.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 79819548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).