2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride

C17H21ClN4OS — CID 119677653

IUPAC2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-3-8-17(2,18)15(22)19-13-6-4-12(5-7-13)14-11-21-9-10-23-16(21)20-14;/h4-7,9-11H,3,8,18H2,1-2H3,(H,19,22);1H
InChIKeyOHGBEKFMSWSTKN-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.94
Rot. Bonds5

About 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119677653) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride
PubChem CID119677653
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-3-8-17(2,18)15(22)19-13-6-4-12(5-7-13)14-11-21-9-10-23-16(21)20-14;/h4-7,9-11H,3,8,18H2,1-2H3,(H,19,22);1H
InChIKeyOHGBEKFMSWSTKN-UHFFFAOYSA-N
XLogP3.94
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.94
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
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 30535436
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
CID 46674582
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
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)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
(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-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride (CID 119677653) is 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is OHGBEKFMSWSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-3-8-17(2,18)15(22)19-13-6-4-12(5-7-13)14-11-21-9-10-23-16(21)20-14;/h4-7,9-11H,3,8,18H2,1-2H3,(H,19,22);1H.
What are the key properties of 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119677653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).