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

C19H16FN3O4S — CID 20896885

IUPACN-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2ccc(F)cc2)CCS3(=O)=O)cc1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-8-2-12(3-9-15)16-17(23-10-11-28(25,26)19(23)22-16)18(24)21-14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNKOWKYOUIVHPGW-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.74
Rot. Bonds4

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

N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 20896885) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID20896885
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2ccc(F)cc2)CCS3(=O)=O)cc1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-8-2-12(3-9-15)16-17(23-10-11-28(25,26)19(23)22-16)18(24)21-14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyNKOWKYOUIVHPGW-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 N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 20896885) is N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(-c2nc3n(c2C(=O)Nc2ccc(F)cc2)CCS3(=O)=O)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NKOWKYOUIVHPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-27-15-8-2-12(3-9-15)16-17(23-10-11-28(25,26)19(23)22-16)18(24)21-14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-6-(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 N-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 20896885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).