6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H16F3N3O4S — CID 50749646

IUPAC6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2cccc(C(F)(F)F)c2)CCS3(=O)=O)c1
InChIInChI=1S/C20H16F3N3O4S/c1-30-15-7-2-4-12(10-15)16-17(26-8-9-31(28,29)19(26)25-16)18(27)24-14-6-3-5-13(11-14)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,27)
InChIKeyMNGSGLKMLZGVSC-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.62
Rot. Bonds4

About 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749646) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749646
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC Name6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2cccc(C(F)(F)F)c2)CCS3(=O)=O)c1
InChIInChI=1S/C20H16F3N3O4S/c1-30-15-7-2-4-12(10-15)16-17(26-8-9-31(28,29)19(26)25-16)18(27)24-14-6-3-5-13(11-14)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,27)
InChIKeyMNGSGLKMLZGVSC-UHFFFAOYSA-N
XLogP3.62
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749646) is 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)Nc2cccc(C(F)(F)F)c2)CCS3(=O)=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MNGSGLKMLZGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c1-30-15-7-2-4-12(10-15)16-17(26-8-9-31(28,29)19(26)25-16)18(27)24-14-6-3-5-13(11-14)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,27).
What are the key properties of 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).