1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine

C14H16N2O2S — CID 64539317

IUPAC1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNCc2cccc3c2OCO3)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)7-15-6-11-4-3-5-12-14(11)18-8-17-12/h3-5,15H,6-8H2,1-2H3
InChIKeyPLVGHGMGNGGBER-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.78
Rot. Bonds4

About 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 64539317) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID64539317
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNCc2cccc3c2OCO3)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)7-15-6-11-4-3-5-12-14(11)18-8-17-12/h3-5,15H,6-8H2,1-2H3
InChIKeyPLVGHGMGNGGBER-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (CID 64539317) is 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1nc(C)c(CNCc2cccc3c2OCO3)s1.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is PLVGHGMGNGGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)7-15-6-11-4-3-5-12-14(11)18-8-17-12/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,3-benzodioxol-4-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 276.36 g/mol, XLogP of 2.78, 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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 64539317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).