2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C14H14N2O4S — CID 45147873

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H14N2O4S/c1-8-6-21-14(15-8)16-13(17)9(2)20-10-3-4-11-12(5-10)19-7-18-11/h3-6,9H,7H2,1-2H3,(H,15,16,17)
InChIKeyRIDMAGIAGVZCTA-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.59
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 45147873) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID45147873
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C14H14N2O4S/c1-8-6-21-14(15-8)16-13(17)9(2)20-10-3-4-11-12(5-10)19-7-18-11/h3-6,9H,7H2,1-2H3,(H,15,16,17)
InChIKeyRIDMAGIAGVZCTA-UHFFFAOYSA-N
XLogP2.59
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
(Z)-3-(1,3-benzodioxol-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2288778
2-(1,3-benzodioxol-5-yloxy)-N-(2-bromo-4-methylphenyl)propanamide
CID 45147847
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(2R)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 30094774
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 45147873) is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RIDMAGIAGVZCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-6-21-14(15-8)16-13(17)9(2)20-10-3-4-11-12(5-10)19-7-18-11/h3-6,9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 306.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 45147873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).