4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide

C24H24N4O2S — CID 46674582

IUPAC4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-24(2,3)18-8-4-17(5-9-18)22(30)25-14-21(29)26-19-10-6-16(7-11-19)20-15-28-12-13-31-23(28)27-20/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyMWYJSKJDIYSJNK-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.73
Rot. Bonds5

About 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide (PubChem CID 46674582) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
PubChem CID46674582
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-24(2,3)18-8-4-17(5-9-18)22(30)25-14-21(29)26-19-10-6-16(7-11-19)20-15-28-12-13-31-23(28)27-20/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyMWYJSKJDIYSJNK-UHFFFAOYSA-N
XLogP4.73
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.73
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)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-[1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3412238
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573518
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24513193
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide (CID 46674582) is 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is MWYJSKJDIYSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-24(2,3)18-8-4-17(5-9-18)22(30)25-14-21(29)26-19-10-6-16(7-11-19)20-15-28-12-13-31-23(28)27-20/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 432.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46674582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).