2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole

C15H15ClF3NOS — CID 170931448

IUPAC2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2nc(C(F)(F)F)cs2)c(Cl)c1
InChIInChI=1S/C15H15ClF3NOS/c1-14(2,3)9-4-5-11(10(16)6-9)21-7-13-20-12(8-22-13)15(17,18)19/h4-6,8H,7H2,1-3H3
InChIKeyNXPRUMJRGJMKMN-UHFFFAOYSA-N
MW349.81 g/mol
LogP5.69
Rot. Bonds3

About 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 170931448) has the molecular formula C15H15ClF3NOS and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID170931448
Molecular FormulaC15H15ClF3NOS
Molecular Weight349.81 g/mol
Exact Mass349.05
IUPAC Name2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2nc(C(F)(F)F)cs2)c(Cl)c1
InChIInChI=1S/C15H15ClF3NOS/c1-14(2,3)9-4-5-11(10(16)6-9)21-7-13-20-12(8-22-13)15(17,18)19/h4-6,8H,7H2,1-3H3
InChIKeyNXPRUMJRGJMKMN-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.81
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-tert-butyl-1,3-thiazole
CID 107699041
2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 166088216
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 115687868
2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
5-amino-2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 106956080
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 67357137
2-[(2,4-dichlorophenoxy)methyl]-4-pyrazin-2-yl-1,3-thiazole
CID 14068301
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 170931448) is 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole is CC(C)(C)c1ccc(OCc2nc(C(F)(F)F)cs2)c(Cl)c1.
What is the InChIKey of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NXPRUMJRGJMKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NOS/c1-14(2,3)9-4-5-11(10(16)6-9)21-7-13-20-12(8-22-13)15(17,18)19/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 349.81 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 170931448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).