2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole

C19H12F3NOS2 — CID 19862479

IUPAC2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(C2C3=CC=CSC3=CC=C2c2nccs2)cc1
InChIInChI=1S/C19H12F3NOS2/c20-19(21,22)24-13-5-3-12(4-6-13)17-14-2-1-10-25-16(14)8-7-15(17)18-23-9-11-26-18/h1-11,17H
InChIKeyWFQKTAQFOOATOH-UHFFFAOYSA-N
MW391.44 g/mol
LogP6.29
Rot. Bonds3

About 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole

2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole (PubChem CID 19862479) has the molecular formula C19H12F3NOS2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole
PubChem CID19862479
Molecular FormulaC19H12F3NOS2
Molecular Weight391.44 g/mol
Exact Mass391.03
IUPAC Name2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(C2C3=CC=CSC3=CC=C2c2nccs2)cc1
InChIInChI=1S/C19H12F3NOS2/c20-19(21,22)24-13-5-3-12(4-6-13)17-14-2-1-10-25-16(14)8-7-15(17)18-23-9-11-26-18/h1-11,17H
InChIKeyWFQKTAQFOOATOH-UHFFFAOYSA-N
XLogP6.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-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

(R)-2-(6-methoxy-3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)-N,N-dimethylethanamine
CID 46865978
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
CID 134867970
2-(4-Methoxy-phenyl)-thiazole
CID 11298449
2-(p-Benzylphenoxy)thiazole
CID 3016384
1-(1,3-Thiazol-2-yl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentan-1-one
CID 21350323
2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole
CID 21350354
2-Methyl-5-(4-(trifluoromethoxy)phenyl)thiazole
CID 44626793
2-[4-(Difluoromethoxy)phenyl]-1,3-thiazole
CID 66694969
2-[4-(Trifluoromethoxy)phenyl]-1,3-thiazole
CID 66694987
2-Fluoro-5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 67114313
4-[3-(3,4-Difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazole
CID 70332410
2-(2-Fluoro-4-methoxyphenyl)-1,3-thiazole
CID 83402219

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole (CID 19862479) is 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole is FC(F)(F)Oc1ccc(C2C3=CC=CSC3=CC=C2c2nccs2)cc1.
What is the InChIKey of 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole?
The InChIKey is WFQKTAQFOOATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NOS2/c20-19(21,22)24-13-5-3-12(4-6-13)17-14-2-1-10-25-16(14)8-7-15(17)18-23-9-11-26-18/h1-11,17H.
What are the key properties of 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole?
2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole has a molecular weight of 391.44 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethoxy)phenyl]-5H-thiochromen-6-yl]-1,3-thiazole is sourced from PubChem (CID 19862479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).