2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole

C17H12F3NOS — CID 11267659

IUPAC2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H12F3NOS/c1-11-21-15(10-23-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)22-17(18,19)20/h2-10H,1H3
InChIKeyUQLTWMVMIDAOMX-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.68
Rot. Bonds3

About 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole

2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (PubChem CID 11267659) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
PubChem CID11267659
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H12F3NOS/c1-11-21-15(10-23-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)22-17(18,19)20/h2-10H,1H3
InChIKeyUQLTWMVMIDAOMX-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Itazigrel
CID 51087
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
4-(2,4-Dimethoxyphenyl)-2-phenyl-1,3-thiazole
CID 2441960
4-(3,4-Difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 2742375
4-(2'-(Trifluoromethoxy)biphenyl-3-yl)thiazole-2-carboxamide
CID 11740023
4-(3-Methoxyphenyl)-2-phenyl-1,3-thiazole
CID 18731901
2,4-Bis(3-Methoxyphenyl)Thiazole
CID 24431784
4-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole
CID 11427214
2-(4-Phenyl-thiazol-2-yl)-benzo[f]chromen-3-ylideneamine
CID 1888321
2-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-(2,5-dimethoxyphenyl)acrylonitrile
CID 5760665
2-(3-Methoxyphenyl)-4-phenyl-1,3-thiazole
CID 8963350
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole (CID 11267659) is 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1.
What is the InChIKey of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
The InChIKey is UQLTWMVMIDAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c1-11-21-15(10-23-11)13-6-4-5-12(9-13)14-7-2-3-8-16(14)22-17(18,19)20/h2-10H,1H3.
What are the key properties of 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole?
2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole has a molecular weight of 335.35 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 11267659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).