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

C14H14N2O4S — CID 45153931

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H14N2O4S/c1-8-6-15-14(21-8)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)
InChIKeyMBWSKXLERBUJMP-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.59
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 45153931) 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-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID45153931
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H14N2O4S/c1-8-6-15-14(21-8)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)
InChIKeyMBWSKXLERBUJMP-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

Analyze 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 45153931) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)Oc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MBWSKXLERBUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-6-15-14(21-8)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-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-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-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 45153931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).