(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride

C13H26Cl2N4OS — CID 154902774

IUPAC(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)NCCCc1csc(N)n1.Cl.Cl
InChIInChI=1S/C13H24N4OS.2ClH/c1-9(2)7-11(15-3)12(18)16-6-4-5-10-8-19-13(14)17-10;;/h8-9,11,15H,4-7H2,1-3H3,(H2,14,17)(H,16,18);2*1H/t11-;;/m0../s1
InChIKeyYFMJAGBFWVWYMQ-IDMXKUIJSA-N
MW357.35 g/mol
LogP2.25
Rot. Bonds8

About (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride

(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride (PubChem CID 154902774) has the molecular formula C13H26Cl2N4OS and a molecular weight of 357.35 g/mol. Its IUPAC name is (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
PubChem CID154902774
Molecular FormulaC13H26Cl2N4OS
Molecular Weight357.35 g/mol
Exact Mass356.12
IUPAC Name(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)NCCCc1csc(N)n1.Cl.Cl
InChIInChI=1S/C13H24N4OS.2ClH/c1-9(2)7-11(15-3)12(18)16-6-4-5-10-8-19-13(14)17-10;;/h8-9,11,15H,4-7H2,1-3H3,(H2,14,17)(H,16,18);2*1H/t11-;;/m0../s1
InChIKeyYFMJAGBFWVWYMQ-IDMXKUIJSA-N
XLogP2.25
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride 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

(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72920355
2-[[(1S)-2-(2-amino-1,3-thiazol-4-yl)-1-carboxyethyl]amino]-4-methylpentanoic acid
CID 59100926
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97208174
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 131889869
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
CID 119060671
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
CID 126432610

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride?
The IUPAC name of (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride (CID 154902774) is (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride?
The canonical SMILES for (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride is CN[C@@H](CC(C)C)C(=O)NCCCc1csc(N)n1.Cl.Cl.
What is the InChIKey of (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride?
The InChIKey is YFMJAGBFWVWYMQ-IDMXKUIJSA-N. The full InChI is InChI=1S/C13H24N4OS.2ClH/c1-9(2)7-11(15-3)12(18)16-6-4-5-10-8-19-13(14)17-10;;/h8-9,11,15H,4-7H2,1-3H3,(H2,14,17)(H,16,18);2*1H/t11-;;/m0../s1.
What are the key properties of (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride?
(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride has a molecular weight of 357.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride is sourced from PubChem (CID 154902774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).