2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide

C12H19N3OS — CID 113387252

IUPAC2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NC(C)c1ncc(CC)s1
InChIInChI=1S/C12H19N3OS/c1-4-6-10(13)11(16)15-8(3)12-14-7-9(5-2)17-12/h4,7-8,10H,1,5-6,13H2,2-3H3,(H,15,16)
InChIKeySVNVYTFOKRFKIC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.79
Rot. Bonds6

About 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide

2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide (PubChem CID 113387252) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
PubChem CID113387252
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NC(C)c1ncc(CC)s1
InChIInChI=1S/C12H19N3OS/c1-4-6-10(13)11(16)15-8(3)12-14-7-9(5-2)17-12/h4,7-8,10H,1,5-6,13H2,2-3H3,(H,15,16)
InChIKeySVNVYTFOKRFKIC-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide 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

(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 115679370
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide (CID 113387252) is 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide is C=CCC(N)C(=O)NC(C)c1ncc(CC)s1.
What is the InChIKey of 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide?
The InChIKey is SVNVYTFOKRFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-6-10(13)11(16)15-8(3)12-14-7-9(5-2)17-12/h4,7-8,10H,1,5-6,13H2,2-3H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide?
2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide has a molecular weight of 253.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 113387252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).