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

C12H12ClNOS — CID 62799150

IUPAC1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClNOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6H2,1H3
InChIKeyTYMUXMUATPOXTI-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.38
Rot. Bonds3

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

1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 62799150) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID62799150
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClNOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6H2,1H3
InChIKeyTYMUXMUATPOXTI-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 107124815
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 62799150) is 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is TYMUXMUATPOXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7,12,15H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 253.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 62799150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).