1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C13H14N2O2S — CID 63280115

IUPAC1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cccc2c1OCO2
InChIInChI=1S/C13H14N2O2S/c1-9-12(18-7-15-9)6-14-5-10-3-2-4-11-13(10)17-8-16-11/h2-4,7,14H,5-6,8H2,1H3
InChIKeyABHTVVZKOLCZCZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.47
Rot. Bonds4

About 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 63280115) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID63280115
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1cccc2c1OCO2
InChIInChI=1S/C13H14N2O2S/c1-9-12(18-7-15-9)6-14-5-10-3-2-4-11-13(10)17-8-16-11/h2-4,7,14H,5-6,8H2,1H3
InChIKeyABHTVVZKOLCZCZ-UHFFFAOYSA-N
XLogP2.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine 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 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 63280115) is 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is ABHTVVZKOLCZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-12(18-7-15-9)6-14-5-10-3-2-4-11-13(10)17-8-16-11/h2-4,7,14H,5-6,8H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 63280115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).