(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol

C15H17F2NO3S2 — CID 164635268

IUPAC(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol
SMILESCC(C)c1nc(CS(=O)(=O)C[C@H](O)c2c(F)cccc2F)cs1
InChIInChI=1S/C15H17F2NO3S2/c1-9(2)15-18-10(6-22-15)7-23(20,21)8-13(19)14-11(16)4-3-5-12(14)17/h3-6,9,13,19H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyYQAQVXPDVAUEEU-ZDUSSCGKSA-N
MW361.44 g/mol
LogP3.19
Rot. Bonds6

About (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol

(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol (PubChem CID 164635268) has the molecular formula C15H17F2NO3S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol
PubChem CID164635268
Molecular FormulaC15H17F2NO3S2
Molecular Weight361.44 g/mol
Exact Mass361.06
IUPAC Name(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol
SMILESCC(C)c1nc(CS(=O)(=O)C[C@H](O)c2c(F)cccc2F)cs1
InChIInChI=1S/C15H17F2NO3S2/c1-9(2)15-18-10(6-22-15)7-23(20,21)8-13(19)14-11(16)4-3-5-12(14)17/h3-6,9,13,19H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyYQAQVXPDVAUEEU-ZDUSSCGKSA-N
XLogP3.19
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol (CID 164635268) is (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol is CC(C)c1nc(CS(=O)(=O)C[C@H](O)c2c(F)cccc2F)cs1.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol?
The InChIKey is YQAQVXPDVAUEEU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17F2NO3S2/c1-9(2)15-18-10(6-22-15)7-23(20,21)8-13(19)14-11(16)4-3-5-12(14)17/h3-6,9,13,19H,7-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol?
(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol has a molecular weight of 361.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol is sourced from PubChem (CID 164635268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).