4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116671855

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCCOCCCNC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H24N4O2S/c1-4-8-19-9-6-7-15-12(18)10-11(14)16-13(20-10)17(3)5-2/h4-9,14H2,1-3H3,(H,15,18)
InChIKeyOAIIGCZWPZNRBT-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.73
Rot. Bonds9

About 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671855) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID116671855
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCCOCCCNC(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C13H24N4O2S/c1-4-8-19-9-6-7-15-12(18)10-11(14)16-13(20-10)17(3)5-2/h4-9,14H2,1-3H3,(H,15,18)
InChIKeyOAIIGCZWPZNRBT-UHFFFAOYSA-N
XLogP1.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide 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

4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664858
4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
CID 116672685
4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide (CID 116671855) is 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide is CCCOCCCNC(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OAIIGCZWPZNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-8-19-9-6-7-15-12(18)10-11(14)16-13(20-10)17(3)5-2/h4-9,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).