2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide

C12H11N3O4S — CID 2897686

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)S1
InChIInChI=1S/C12H11N3O4S/c13-12-15-11(17)9(20-12)4-10(16)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,16)(H2,13,15,17)
InChIKeyJJZUNHXDLYMTHO-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.70
Rot. Bonds3

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 2897686) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID2897686
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)S1
InChIInChI=1S/C12H11N3O4S/c13-12-15-11(17)9(20-12)4-10(16)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,16)(H2,13,15,17)
InChIKeyJJZUNHXDLYMTHO-UHFFFAOYSA-N
XLogP0.70
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1387313
(6R)-2-amino-N-(1,3-benzodioxol-5-yl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CID 943900
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
CID 11963349
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 154777200
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-2-[(5S)-2-[(3S)-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984666
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41060307
N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1419014

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide (CID 2897686) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide is NC1=NC(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)S1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is JJZUNHXDLYMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-12-15-11(17)9(20-12)4-10(16)14-6-1-2-7-8(3-6)19-5-18-7/h1-3,9H,4-5H2,(H,14,16)(H2,13,15,17).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).