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

C12H12ClNOS2 — CID 110884759

IUPAC1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
SMILESCc1csc(SCC(O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7H2,1H3
InChIKeyBXYSNVYBFXRPHI-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.93
Rot. Bonds4

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

1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol (PubChem CID 110884759) has the molecular formula C12H12ClNOS2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
PubChem CID110884759
Molecular FormulaC12H12ClNOS2
Molecular Weight285.82 g/mol
Exact Mass285.00
IUPAC Name1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
SMILESCc1csc(SCC(O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7H2,1H3
InChIKeyBXYSNVYBFXRPHI-UHFFFAOYSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol with MolForge

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Related Compounds

(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
CID 49790611
1-(4-Chlorophenyl)-1-(4-methyl-5-thiazolyl)methanol
CID 22101856
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethanol
CID 117981457
1-[4-Chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol
CID 167556951
4-Methyl-alpha-phenyl-2-thiazoleethanol
CID 13642762
1-(4-Fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 53523047
(1R)-1-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanol
CID 55238333
[3,5-Difluoro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
CID 55238523
(1R)-1-[2-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanol
CID 55238524
1-(2-Chloro-6-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 62795485
1-(2-Chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 62795832
1-(2-Chloro-6-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol (CID 110884759) is 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol is Cc1csc(SCC(O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The InChIKey is BXYSNVYBFXRPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol has a molecular weight of 285.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 110884759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).