2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

C11H10F3NOS — CID 3363949

IUPAC2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESOC1(C(F)(F)F)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2
InChIKeyRPAFFOCDCPKJJN-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.63
Rot. Bonds2

About 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (PubChem CID 3363949) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
PubChem CID3363949
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESOC1(C(F)(F)F)CSC(Cc2ccccc2)=N1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2
InChIKeyRPAFFOCDCPKJJN-UHFFFAOYSA-N
XLogP2.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CID 3040932
4-Methyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470268
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-2-phenyl-5H-1,3-thiazol-4-ol
CID 135078969
4-Ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 470269
5,5-Difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol
CID 10879863
1-[(5,5-Difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11120214
3-(2,6-Difluorobenzylthio)-5-ethyl-5-methyl-2-isoxazoline
CID 12137652
Isoxazole, 3-[[(2,6-difluorophenyl)methyl]thio]-4,5-dihydro-5,5-dimethyl-
CID 12137655
2-[(3,5-Difluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole
CID 53919291
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
CID 54193914
3-[(2,6-difluorophenyl)methylsulfanyl]-4-fluoro-5,5-dimethyl-4H-1,2-oxazole
CID 57574499

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The IUPAC name of 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (CID 3363949) is 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.
What is the SMILES notation for 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The canonical SMILES for 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is OC1(C(F)(F)F)CSC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The InChIKey is RPAFFOCDCPKJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2.
What are the key properties of 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol has a molecular weight of 261.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 3363949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).