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

C15H18F3NOS — CID 71053568

IUPAC[4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCCCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C15H18F3NOS/c1-2-3-4-12-13(9-20)21-14(19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,20H,2-4,9H2,1H3
InChIKeyAHWPJVBYOWSOCQ-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.12
Rot. Bonds5

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

[4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (PubChem CID 71053568) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
PubChem CID71053568
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name[4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCCCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C15H18F3NOS/c1-2-3-4-12-13(9-20)21-14(19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,20H,2-4,9H2,1H3
InChIKeyAHWPJVBYOWSOCQ-UHFFFAOYSA-N
XLogP4.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.12
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
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-Methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
CID 71053768
[2-(2-Fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 141363840
2-[4-(4,5-Dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol
CID 142782268
1-[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-1-ium-1-yl]ethanol
CID 162540484
2-[1-Ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-1-ium-4-yl]ethanol
CID 162540645
2-[4-(Trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-6-ol
CID 115066719
C11H9BrF3NOS
CID 117588056
2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-thiazol-4-yl]ethanol
CID 151449116
1-hydroxypentan-2-yl N-ethylbenzenecarboximidothioate
CID 139378111

Frequently Asked Questions

What is the IUPAC name of [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (CID 71053568) is [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is CCCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO.
What is the InChIKey of [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The InChIKey is AHWPJVBYOWSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c1-2-3-4-12-13(9-20)21-14(19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,20H,2-4,9H2,1H3.
What are the key properties of [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
[4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol has a molecular weight of 317.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71053568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).