2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol

C12H11F2NOS — CID 151275197

IUPAC2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)c(-c2nccs2)c(F)c1
InChIInChI=1S/C12H11F2NOS/c1-12(2,16)7-5-8(13)10(9(14)6-7)11-15-3-4-17-11/h3-6,16H,1-2H3
InChIKeyNXFAUDJOTDRKPA-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.32
Rot. Bonds2

About 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol

2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol (PubChem CID 151275197) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol
PubChem CID151275197
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)c(-c2nccs2)c(F)c1
InChIInChI=1S/C12H11F2NOS/c1-12(2,16)7-5-8(13)10(9(14)6-7)11-15-3-4-17-11/h3-6,16H,1-2H3
InChIKeyNXFAUDJOTDRKPA-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335271
2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol
CID 177186867
2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 130464416
(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
CID 95850481
2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 59753149
tert-butyl 4-fluoro-2-(1,3-thiazol-2-yl)benzoate
CID 171617949
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 66633860
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-(3-fluoro-4-sulfanylphenyl)propan-2-ol
CID 142522705
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol (CID 151275197) is 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(F)c(-c2nccs2)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol?
The InChIKey is NXFAUDJOTDRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c1-12(2,16)7-5-8(13)10(9(14)6-7)11-15-3-4-17-11/h3-6,16H,1-2H3.
What are the key properties of 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol?
2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol has a molecular weight of 255.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(1,3-thiazol-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 151275197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).