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

C20H16N4O4S — CID 50749830

IUPACN-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2ccccc2C#N)CCS3(=O)=O)c1
InChIInChI=1S/C20H16N4O4S/c1-28-15-7-4-6-13(11-15)17-18(24-9-10-29(26,27)20(24)23-17)19(25)22-16-8-3-2-5-14(16)12-21/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyWIAACWTUAFOONP-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.47
Rot. Bonds4

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

N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749830) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749830
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC NameN-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2ccccc2C#N)CCS3(=O)=O)c1
InChIInChI=1S/C20H16N4O4S/c1-28-15-7-4-6-13(11-15)17-18(24-9-10-29(26,27)20(24)23-17)19(25)22-16-8-3-2-5-14(16)12-21/h2-8,11H,9-10H2,1H3,(H,22,25)
InChIKeyWIAACWTUAFOONP-UHFFFAOYSA-N
XLogP2.47
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749830) is N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)Nc2ccccc2C#N)CCS3(=O)=O)c1.
What is the InChIKey of N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is WIAACWTUAFOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-28-15-7-4-6-13(11-15)17-18(24-9-10-29(26,27)20(24)23-17)19(25)22-16-8-3-2-5-14(16)12-21/h2-8,11H,9-10H2,1H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).