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

C18H20N4O2S — CID 42907324

IUPAC2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)C(C)C
InChIInChI=1S/C18H20N4O2S/c1-11(2)16(19-12(3)23)17(24)20-14-6-4-13(5-7-14)15-10-22-8-9-25-18(22)21-15/h4-11,16H,1-3H3,(H,19,23)(H,20,24)
InChIKeyFRDOBRYXMXDMIQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.16
Rot. Bonds5

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

2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (PubChem CID 42907324) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
PubChem CID42907324
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)C(C)C
InChIInChI=1S/C18H20N4O2S/c1-11(2)16(19-12(3)23)17(24)20-14-6-4-13(5-7-14)15-10-22-8-9-25-18(22)21-15/h4-11,16H,1-3H3,(H,19,23)(H,20,24)
InChIKeyFRDOBRYXMXDMIQ-UHFFFAOYSA-N
XLogP3.16
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3412238
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
2-(4-ethylphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 43936514
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-propan-2-yloxybenzamide
CID 4877617
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280117
(E)-3-(3,4-dimethoxyphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
CID 8800810
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-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (CID 42907324) is 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide is CC(=O)NC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The InChIKey is FRDOBRYXMXDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11(2)16(19-12(3)23)17(24)20-14-6-4-13(5-7-14)15-10-22-8-9-25-18(22)21-15/h4-11,16H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide has a molecular weight of 356.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 42907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).