2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide

C17H24N4OS — CID 120904023

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
SMILESCCCN(Cc1cnc(N)s1)C(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H24N4OS/c1-4-9-21(11-14-10-19-17(18)23-14)13(3)16(22)20-15-8-6-5-7-12(15)2/h5-8,10,13H,4,9,11H2,1-3H3,(H2,18,19)(H,20,22)
InChIKeyMWHQFLZCCVNPMX-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.27
Rot. Bonds7

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide

2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide (PubChem CID 120904023) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
PubChem CID120904023
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
SMILESCCCN(Cc1cnc(N)s1)C(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C17H24N4OS/c1-4-9-21(11-14-10-19-17(18)23-14)13(3)16(22)20-15-8-6-5-7-12(15)2/h5-8,10,13H,4,9,11H2,1-3H3,(H2,18,19)(H,20,22)
InChIKeyMWHQFLZCCVNPMX-UHFFFAOYSA-N
XLogP3.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78787959
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
CID 120900436
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide (CID 120904023) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide is CCCN(Cc1cnc(N)s1)C(C)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide?
The InChIKey is MWHQFLZCCVNPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-9-21(11-14-10-19-17(18)23-14)13(3)16(22)20-15-8-6-5-7-12(15)2/h5-8,10,13H,4,9,11H2,1-3H3,(H2,18,19)(H,20,22).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide?
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 120904023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).