2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C19H14F3NOS — CID 143872478

IUPAC2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(Cc3ccc(C4CO4)cc3)n2)c1
InChIInChI=1S/C19H14F3NOS/c20-19(21,22)15-3-1-2-14(9-15)16-11-25-18(23-16)8-12-4-6-13(7-5-12)17-10-24-17/h1-7,9,11,17H,8,10H2
InChIKeyCIJMUKCWSRICHX-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.49
Rot. Bonds4

About 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole

2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 143872478) has the molecular formula C19H14F3NOS and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID143872478
Molecular FormulaC19H14F3NOS
Molecular Weight361.39 g/mol
Exact Mass361.07
IUPAC Name2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2csc(Cc3ccc(C4CO4)cc3)n2)c1
InChIInChI=1S/C19H14F3NOS/c20-19(21,22)15-3-1-2-14(9-15)16-11-25-18(23-16)8-12-4-6-13(7-5-12)17-10-24-17/h1-7,9,11,17H,8,10H2
InChIKeyCIJMUKCWSRICHX-UHFFFAOYSA-N
XLogP5.49
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70794122
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
CID 157277638
2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole
CID 159715926
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
CID 102748231
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 62585929
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 143872478) is 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cccc(-c2csc(Cc3ccc(C4CO4)cc3)n2)c1.
What is the InChIKey of 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is CIJMUKCWSRICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NOS/c20-19(21,22)15-3-1-2-14(9-15)16-11-25-18(23-16)8-12-4-6-13(7-5-12)17-10-24-17/h1-7,9,11,17H,8,10H2.
What are the key properties of 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 361.39 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 143872478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).