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

C14H16F3NOS — CID 71049141

IUPAC[4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C14H16F3NOS/c1-2-3-11-12(8-19)20-13(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11-12,19H,2-3,8H2,1H3
InChIKeyBAHITPKYDRPDAM-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.73
Rot. Bonds4

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

[4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (PubChem CID 71049141) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
PubChem CID71049141
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name[4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol
SMILESCCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO
InChIInChI=1S/C14H16F3NOS/c1-2-3-11-12(8-19)20-13(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11-12,19H,2-3,8H2,1H3
InChIKeyBAHITPKYDRPDAM-UHFFFAOYSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.73
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
4-Methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 60071449
1-[2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 68199502
[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
[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
2-[5-Methyl-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-4,5-dihydro-1,3-thiazol-4-yl]ethanol
CID 143118168
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

Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol (CID 71049141) is [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is CCCC1N=C(c2ccc(C(F)(F)F)cc2)SC1CO.
What is the InChIKey of [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
The InChIKey is BAHITPKYDRPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-2-3-11-12(8-19)20-13(18-11)9-4-6-10(7-5-9)14(15,16)17/h4-7,11-12,19H,2-3,8H2,1H3.
What are the key properties of [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol?
[4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol has a molecular weight of 303.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71049141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).