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

C21H21N3O6S — CID 50749624

IUPACN-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)cc(OC)c2)CCS3(=O)=O)cc1
InChIInChI=1S/C21H21N3O6S/c1-28-15-6-4-13(5-7-15)18-19(24-8-9-31(26,27)21(24)23-18)20(25)22-14-10-16(29-2)12-17(11-14)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyLXTMEMRYFBKAMD-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.62
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749624) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749624
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC NameN-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)cc(OC)c2)CCS3(=O)=O)cc1
InChIInChI=1S/C21H21N3O6S/c1-28-15-6-4-13(5-7-15)18-19(24-8-9-31(26,27)21(24)23-18)20(25)22-14-10-16(29-2)12-17(11-14)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyLXTMEMRYFBKAMD-UHFFFAOYSA-N
XLogP2.62
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethylphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749738
N-(2-methoxyphenyl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749818
6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749879
6-amino-N-(3,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 62151472
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
7-chloro-N-(3,5-dimethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 84569488

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749624) is N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)cc(OC)c2)CCS3(=O)=O)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LXTMEMRYFBKAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-28-15-6-4-13(5-7-15)18-19(24-8-9-31(26,27)21(24)23-18)20(25)22-14-10-16(29-2)12-17(11-14)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).