[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol

C12H12F3NOS — CID 71053768

IUPAC[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C12H12F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,17H,6H2,1H3
InChIKeyQCZOMVLYUPQFOV-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.95
Rot. Bonds2

About [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol

[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (PubChem CID 71053768) has the molecular formula C12H12F3NOS and a molecular weight of 275.30 g/mol. Its IUPAC name is [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
PubChem CID71053768
Molecular FormulaC12H12F3NOS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C12H12F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,17H,6H2,1H3
InChIKeyQCZOMVLYUPQFOV-UHFFFAOYSA-N
XLogP2.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 145978113
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol
CID 135078969
Hydroxyphenyl-thiazoline
CID 129830028
Ethyl 2-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 155807484
4-Methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 60071449
Ethyl4-methyl-2-(4-(trifluoromethyl)phenyl)-4,5-dihydrothiazole-5-carboxylate
CID 68177059
1-[2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 68199502
[4-Propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
CID 71049141
[4-Butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
CID 71053568
4-Methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 71053628
(R)-2-[4-(Trifluoromethyl)phenyl]-4,5-dihydrothiazole-4-carboxylic Acid
CID 74436865
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole-5-carbaldehyde
CID 88884453

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (CID 71053768) is [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is CC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO.
What is the InChIKey of [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The InChIKey is QCZOMVLYUPQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NOS/c1-7-10(6-17)18-11(16-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,17H,6H2,1H3.
What are the key properties of [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol has a molecular weight of 275.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71053768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).