4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C13H22N4O3S — CID 116668840

IUPAC4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-2-19-7-3-4-15-12(18)10-11(14)16-13(21-10)17-5-8-20-9-6-17/h2-9,14H2,1H3,(H,15,18)
InChIKeyASPBDWIKINDINS-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.72
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116668840) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116668840
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-2-19-7-3-4-15-12(18)10-11(14)16-13(21-10)17-5-8-20-9-6-17/h2-9,14H2,1H3,(H,15,18)
InChIKeyASPBDWIKINDINS-UHFFFAOYSA-N
XLogP0.72
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-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-(4-methylsulfanylbutyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672727
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116667610
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282
4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116662970
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116668840) is 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CCOCCCNC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ASPBDWIKINDINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-19-7-3-4-15-12(18)10-11(14)16-13(21-10)17-5-8-20-9-6-17/h2-9,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).