2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide

C17H19N3O3S — CID 38079822

IUPAC2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C17H19N3O3S/c1-3-9-18-16(22)13-6-4-5-7-14(13)19-15(21)8-10-20-12(2)11-24-17(20)23/h3-7,11H,1,8-10H2,2H3,(H,18,22)(H,19,21)
InChIKeyAVXWFDRUDUDZOL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.16
Rot. Bonds7

About 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide

2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide (PubChem CID 38079822) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
PubChem CID38079822
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C17H19N3O3S/c1-3-9-18-16(22)13-6-4-5-7-14(13)19-15(21)8-10-20-12(2)11-24-17(20)23/h3-7,11H,1,8-10H2,2H3,(H,18,22)(H,19,21)
InChIKeyAVXWFDRUDUDZOL-UHFFFAOYSA-N
XLogP2.16
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide 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

N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
CID 34653312
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56503336
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9114369
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706648
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide (CID 38079822) is 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)CCn1c(C)csc1=O.
What is the InChIKey of 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide?
The InChIKey is AVXWFDRUDUDZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-9-18-16(22)13-6-4-5-7-14(13)19-15(21)8-10-20-12(2)11-24-17(20)23/h3-7,11H,1,8-10H2,2H3,(H,18,22)(H,19,21).
What are the key properties of 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide?
2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 38079822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).