N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide

C15H19N3O2S — CID 139564934

IUPACN-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide
SMILESC=C/N=C(\C=C(C)C)C(=O)NC(C)c1ncc(C(C)=O)s1
InChIInChI=1S/C15H19N3O2S/c1-6-16-12(7-9(2)3)14(20)18-10(4)15-17-8-13(21-15)11(5)19/h6-8,10H,1H2,2-5H3,(H,18,20)/b16-12+
InChIKeyMEXFXUOYUPPFGT-FOWTUZBSSA-N
MW305.40 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide

N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide (PubChem CID 139564934) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide.

Molecular Properties

Compound NameN-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide
PubChem CID139564934
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide
SMILESC=C/N=C(\C=C(C)C)C(=O)NC(C)c1ncc(C(C)=O)s1
InChIInChI=1S/C15H19N3O2S/c1-6-16-12(7-9(2)3)14(20)18-10(4)15-17-8-13(21-15)11(5)19/h6-8,10H,1H2,2-5H3,(H,18,20)/b16-12+
InChIKeyMEXFXUOYUPPFGT-FOWTUZBSSA-N
XLogP3.07
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Acetyl-2-acetylaminomethylthiazole
CID 10241840
tert-butyl N-[(1R)-1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
CID 70848420
tert-butyl N-[1-(5-acetyl-1,3-thiazol-2-yl)-2-methylpropyl]carbamate
CID 77942249
(E)-2-ethenylimino-4-methyl-N-[1-(5-prop-1-en-2-yl-1,3-thiazol-2-yl)ethyl]oct-3-en-5-ynamide
CID 129090931
N-[(1S)-1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 144242211
N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole-5-carboxamide
CID 167190518
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 103709201
6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103718295
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718320
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103734215
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103734226
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103737188

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide?
The IUPAC name of N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide (CID 139564934) is N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide.
What is the SMILES notation for N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide?
The canonical SMILES for N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide is C=C/N=C(\C=C(C)C)C(=O)NC(C)c1ncc(C(C)=O)s1.
What is the InChIKey of N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide?
The InChIKey is MEXFXUOYUPPFGT-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-6-16-12(7-9(2)3)14(20)18-10(4)15-17-8-13(21-15)11(5)19/h6-8,10H,1H2,2-5H3,(H,18,20)/b16-12+.
What are the key properties of N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide?
N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide has a molecular weight of 305.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-acetyl-1,3-thiazol-2-yl)ethyl]-2-ethenylimino-4-methylpent-3-enamide is sourced from PubChem (CID 139564934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).