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

C11H17N3OS — CID 106047514

IUPAC2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C11H17N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h3,7,10H,1,4-6,12H2,2H3,(H,13,15)
InChIKeyMXQOFEKLGOMBSP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.01
Rot. Bonds6

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

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide (PubChem CID 106047514) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
PubChem CID106047514
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C11H17N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h3,7,10H,1,4-6,12H2,2H3,(H,13,15)
InChIKeyMXQOFEKLGOMBSP-UHFFFAOYSA-N
XLogP1.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide (CID 106047514) is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide is C=CCC(N)C(=O)NCCc1csc(C)n1.
What is the InChIKey of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide?
The InChIKey is MXQOFEKLGOMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h3,7,10H,1,4-6,12H2,2H3,(H,13,15).
What are the key properties of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide?
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide has a molecular weight of 239.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide is sourced from PubChem (CID 106047514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).