2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide

C11H17N3O2S — CID 66391059

IUPAC2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide
SMILESC=COCCCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H17N3O2S/c1-2-16-7-3-6-13-11(15)9-8-17-10(14-9)4-5-12/h2,8H,1,3-7,12H2,(H,13,15)
InChIKeyUOBSDWJEHLBRLV-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds8

About 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 66391059) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID66391059
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide
SMILESC=COCCCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H17N3O2S/c1-2-16-7-3-6-13-11(15)9-8-17-10(14-9)4-5-12/h2,8H,1,3-7,12H2,(H,13,15)
InChIKeyUOBSDWJEHLBRLV-UHFFFAOYSA-N
XLogP0.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-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

2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(2-but-3-enoxyethyl)-1,3-thiazole-4-carboxamide
CID 106398414
2-(2-aminoethyl)-N-(4-ethoxybutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622259
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361
2-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 113327458
2-(2-aminoethyl)-N-[3-(2-phenylethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624379
methyl 6-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 120617892
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide (CID 66391059) is 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide is C=COCCCNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UOBSDWJEHLBRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-16-7-3-6-13-11(15)9-8-17-10(14-9)4-5-12/h2,8H,1,3-7,12H2,(H,13,15).
What are the key properties of 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-ethenoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66391059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).