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

C20H18ClN3O3S — CID 50749879

IUPAC6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)nc3n2CCS3(=O)=O)c(C)c1
InChIInChI=1S/C20H18ClN3O3S/c1-12-3-8-16(13(2)11-12)22-19(25)18-17(14-4-6-15(21)7-5-14)23-20-24(18)9-10-28(20,26)27/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyNRAVNIWAGQJFDV-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.86
Rot. Bonds3

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

6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749879) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749879
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)nc3n2CCS3(=O)=O)c(C)c1
InChIInChI=1S/C20H18ClN3O3S/c1-12-3-8-16(13(2)11-12)22-19(25)18-17(14-4-6-15(21)7-5-14)23-20-24(18)9-10-28(20,26)27/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyNRAVNIWAGQJFDV-UHFFFAOYSA-N
XLogP3.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749663
N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749624
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
CID 46298045
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53335047
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 110857188

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749879) is 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)nc3n2CCS3(=O)=O)c(C)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NRAVNIWAGQJFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-12-3-8-16(13(2)11-12)22-19(25)18-17(14-4-6-15(21)7-5-14)23-20-24(18)9-10-28(20,26)27/h3-8,11H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).