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

C19H16FN3O4S — CID 50749617

IUPAC6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccc(F)cc3)nc3n2CCS3(=O)=O)cc1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-8-6-14(7-9-15)21-18(24)17-16(12-2-4-13(20)5-3-12)22-19-23(17)10-11-28(19,25)26/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyIHORYWOKQVLUFA-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.74
Rot. Bonds4

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

6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749617) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749617
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC Name6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccc(F)cc3)nc3n2CCS3(=O)=O)cc1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-8-6-14(7-9-15)21-18(24)17-16(12-2-4-13(20)5-3-12)22-19-23(17)10-11-28(19,25)26/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyIHORYWOKQVLUFA-UHFFFAOYSA-N
XLogP2.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749617) is 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(NC(=O)c2c(-c3ccc(F)cc3)nc3n2CCS3(=O)=O)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IHORYWOKQVLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-27-15-8-6-14(7-9-15)21-18(24)17-16(12-2-4-13(20)5-3-12)22-19-23(17)10-11-28(19,25)26/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).