2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide

C12H10N2O3S — CID 10199129

IUPAC2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3S/c1-13-11(15)8-5-18-12(14-8)7-2-3-9-10(4-7)17-6-16-9/h2-5H,6H2,1H3,(H,13,15)
InChIKeyZNNCRYGBHWLYAV-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide

2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 10199129) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID10199129
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3S/c1-13-11(15)8-5-18-12(14-8)7-2-3-9-10(4-7)17-6-16-9/h2-5H,6H2,1H3,(H,13,15)
InChIKeyZNNCRYGBHWLYAV-UHFFFAOYSA-N
XLogP1.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide (CID 10199129) is 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZNNCRYGBHWLYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-13-11(15)8-5-18-12(14-8)7-2-3-9-10(4-7)17-6-16-9/h2-5H,6H2,1H3,(H,13,15).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10199129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).