(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol

C12H12ClNOS — CID 6923600

IUPAC(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)O
InChIInChI=1S/C12H12ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m1/s1
InChIKeyOQMMFJJOGGBCJC-MRVPVSSYSA-N
MW253.75 g/mol
LogP3.83
Rot. Bonds2

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

(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 6923600) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID6923600
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)O
InChIInChI=1S/C12H12ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m1/s1
InChIKeyOQMMFJJOGGBCJC-MRVPVSSYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 21051230
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884586
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
2-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184523
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 6923600) is (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is OQMMFJJOGGBCJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 253.75 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 6923600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).