N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H15ClF3N3O4S — CID 50749668

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCS3(=O)=O)c1
InChIInChI=1S/C20H15ClF3N3O4S/c1-31-13-4-2-3-11(9-13)16-17(27-7-8-32(29,30)19(27)26-16)18(28)25-12-5-6-15(21)14(10-12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,25,28)
InChIKeyIDTJFKGUKRECAZ-UHFFFAOYSA-N
MW485.87 g/mol
LogP4.27
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749668) has the molecular formula C20H15ClF3N3O4S and a molecular weight of 485.87 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749668
Molecular FormulaC20H15ClF3N3O4S
Molecular Weight485.87 g/mol
Exact Mass485.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCS3(=O)=O)c1
InChIInChI=1S/C20H15ClF3N3O4S/c1-31-13-4-2-3-11(9-13)16-17(27-7-8-32(29,30)19(27)26-16)18(28)25-12-5-6-15(21)14(10-12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,25,28)
InChIKeyIDTJFKGUKRECAZ-UHFFFAOYSA-N
XLogP4.27
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749668) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCS3(=O)=O)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IDTJFKGUKRECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O4S/c1-31-13-4-2-3-11(9-13)16-17(27-7-8-32(29,30)19(27)26-16)18(28)25-12-5-6-15(21)14(10-12)20(22,23)24/h2-6,9-10H,7-8H2,1H3,(H,25,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 485.87 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).