5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole

C13H12F3NO3S — CID 174680062

IUPAC5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2ncsc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C13H12F3NO3S/c1-18-8-4-7(5-9(19-2)11(8)20-3)10-12(13(14,15)16)21-6-17-10/h4-6H,1-3H3
InChIKeyUHCKDUXCSZKRLY-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.85
Rot. Bonds4

About 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole

5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (PubChem CID 174680062) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
PubChem CID174680062
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Name5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2ncsc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C13H12F3NO3S/c1-18-8-4-7(5-9(19-2)11(8)20-3)10-12(13(14,15)16)21-6-17-10/h4-6H,1-3H3
InChIKeyUHCKDUXCSZKRLY-UHFFFAOYSA-N
XLogP3.85
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole (CID 174680062) is 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is COc1cc(-c2ncsc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
The InChIKey is UHCKDUXCSZKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-18-8-4-7(5-9(19-2)11(8)20-3)10-12(13(14,15)16)21-6-17-10/h4-6H,1-3H3.
What are the key properties of 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole?
5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole has a molecular weight of 319.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 174680062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).