1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C13H14FNOS2 — CID 66072205

IUPAC1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7,12,16H,6,8H2,1H3
InChIKeyWCYMYGNXJIMPRG-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 66072205) has the molecular formula C13H14FNOS2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID66072205
Molecular FormulaC13H14FNOS2
Molecular Weight283.39 g/mol
Exact Mass283.05
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7,12,16H,6,8H2,1H3
InChIKeyWCYMYGNXJIMPRG-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-Difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 55119510
1-(2-Fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119651
1-(2,4-Difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(2,5-Difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 55119797
1-(3,4-Difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 55120623
1-(2-Fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 55120722
1-(2,4-Difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 55120766
1-(2,5-Difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 55120902
2-(4-Methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 55155228
1-(3-Fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55211954
2-[2-[2-(2-Fluorophenyl)sulfanylethylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708896
2-[2-[2-(4-Fluorophenyl)sulfanylethylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708906

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 66072205) is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)CSc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is WCYMYGNXJIMPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7,12,16H,6,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 66072205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).