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

C10H12N2O3S — CID 110478273

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H12N2O3S/c1-5-8(6(2)13)16-10(11-5)12(4)9(15)7(3)14/h1-4H3
InChIKeyCWBMWEYQSAJBPW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.21
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide (PubChem CID 110478273) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
PubChem CID110478273
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H12N2O3S/c1-5-8(6(2)13)16-10(11-5)12(4)9(15)7(3)14/h1-4H3
InChIKeyCWBMWEYQSAJBPW-UHFFFAOYSA-N
XLogP1.21
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62751156
1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 79858127
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 55114088
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750312
(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 69134146
1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 55113615
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide (CID 110478273) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide is CC(=O)C(=O)N(C)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide?
The InChIKey is CWBMWEYQSAJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5-8(6(2)13)16-10(11-5)12(4)9(15)7(3)14/h1-4H3.
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 110478273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).