[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H16F3NO4S — CID 25259518

IUPAC[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H16F3NO4S/c1-26-15-8-12(9-16(27-2)18(15)28-3)17(25)14-10-29-19(24-14)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3
InChIKeyFNFDWGCEPDFHHD-UHFFFAOYSA-N
MW423.41 g/mol
LogP5.09
Rot. Bonds6

About [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25259518) has the molecular formula C20H16F3NO4S and a molecular weight of 423.41 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25259518
Molecular FormulaC20H16F3NO4S
Molecular Weight423.41 g/mol
Exact Mass423.08
IUPAC Name[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H16F3NO4S/c1-26-15-8-12(9-16(27-2)18(15)28-3)17(25)14-10-29-19(24-14)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3
InChIKeyFNFDWGCEPDFHHD-UHFFFAOYSA-N
XLogP5.09
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25259518) is [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FNFDWGCEPDFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4S/c1-26-15-8-12(9-16(27-2)18(15)28-3)17(25)14-10-29-19(24-14)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3.
What are the key properties of [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 423.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25259518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).