3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C23H22N4O2S — CID 30535436

IUPAC3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C23H22N4O2S/c1-23(2,3)21(29)25-18-6-4-5-16(13-18)20(28)24-17-9-7-15(8-10-17)19-14-27-11-12-30-22(27)26-19/h4-14H,1-3H3,(H,24,28)(H,25,29)
InChIKeyZBUSONSHCNFZHJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.30
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 30535436) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID30535436
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C23H22N4O2S/c1-23(2,3)21(29)25-18-6-4-5-16(13-18)20(28)24-17-9-7-15(8-10-17)19-14-27-11-12-30-22(27)26-19/h4-14H,1-3H3,(H,24,28)(H,25,29)
InChIKeyZBUSONSHCNFZHJ-UHFFFAOYSA-N
XLogP5.30
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29441698
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride
CID 119677653
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 30535436) is 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is ZBUSONSHCNFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-23(2,3)21(29)25-18-6-4-5-16(13-18)20(28)24-17-9-7-15(8-10-17)19-14-27-11-12-30-22(27)26-19/h4-14H,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 30535436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).