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

C10H6F3NOS — CID 66694987

IUPAC2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)15-8-3-1-7(2-4-8)9-14-5-6-16-9/h1-6H
InChIKeyROCAIAVCIBSQPC-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.71
Rot. Bonds2

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

2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 66694987) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID66694987
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)15-8-3-1-7(2-4-8)9-14-5-6-16-9/h1-6H
InChIKeyROCAIAVCIBSQPC-UHFFFAOYSA-N
XLogP3.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-2-yl)phenol
CID 223840
4-(Thiazol-2-yl)phenyl butylcarbamate
CID 16007307
Thiazolium, 2-(p-methoxyphenyl)-3,4-dimethyl-, iodide
CID 209193
Thiazolium, 3-ethyl-2-(p-methoxyphenyl)-4-methyl-, iodide
CID 209195
4-[4-(Difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
CID 2742356
4-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole bromide
CID 45108883
Thiazole, 2-(1,3-benzodioxol-5-yl)-
CID 9815643
4-(3-Fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 768767
4-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 2744749
2-(4-Trifluoromethoxyphenyl)-4-(3-pyridyl)thiazole
CID 86277531
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
CID 134867970
4-(4-Methoxyphenyl)-1,3-thiazole
CID 4034644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 66694987) is 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is FC(F)(F)Oc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is ROCAIAVCIBSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)15-8-3-1-7(2-4-8)9-14-5-6-16-9/h1-6H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 245.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 66694987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).