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

C16H20ClNOS — CID 115822986

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C(C)(C)C)cs2)cc1Cl
InChIInChI=1S/C16H20ClNOS/c1-10-5-6-11(7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9,13,19H,8H2,1-4H3
InChIKeyYZPMFLIWVCDQTO-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.68
Rot. Bonds3

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol (PubChem CID 115822986) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
PubChem CID115822986
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C(C)(C)C)cs2)cc1Cl
InChIInChI=1S/C16H20ClNOS/c1-10-5-6-11(7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9,13,19H,8H2,1-4H3
InChIKeyYZPMFLIWVCDQTO-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115822987
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79819805
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
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-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
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-(3-methyl-2-pyridinyl)ethanol
CID 79820653
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol (CID 115822986) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2nc(C(C)(C)C)cs2)cc1Cl.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol?
The InChIKey is YZPMFLIWVCDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-10-5-6-11(7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9,13,19H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol has a molecular weight of 309.86 g/mol, XLogP of 4.68, 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-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 115822986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).