N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide

C11H14N2O2S — CID 733793

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide
SMILESCC(=O)c1sc(NC(=O)C=C(C)C)nc1C
InChIInChI=1S/C11H14N2O2S/c1-6(2)5-9(15)13-11-12-7(3)10(16-11)8(4)14/h5H,1-4H3,(H,12,13,15)
InChIKeyCETPNMCFHWLATP-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.56
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide (PubChem CID 733793) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide
PubChem CID733793
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide
SMILESCC(=O)c1sc(NC(=O)C=C(C)C)nc1C
InChIInChI=1S/C11H14N2O2S/c1-6(2)5-9(15)13-11-12-7(3)10(16-11)8(4)14/h5H,1-4H3,(H,12,13,15)
InChIKeyCETPNMCFHWLATP-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Acetyl-2-amino-4-methylthiazole
CID 720882
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
1-[2-(2-Methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2440370
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 830648
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
CID 734580
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 4457143
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide
CID 53316480
disodium;N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phosphonatoacetamide
CID 53317820
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-diethoxyphosphorylpropanamide
CID 71724169
disodium;N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-phosphonatopropanamide
CID 73348998
1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 12236850

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide (CID 733793) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide is CC(=O)c1sc(NC(=O)C=C(C)C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide?
The InChIKey is CETPNMCFHWLATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-6(2)5-9(15)13-11-12-7(3)10(16-11)8(4)14/h5H,1-4H3,(H,12,13,15).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide has a molecular weight of 238.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 733793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).