5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C19H28N4O2S — CID 45228967

IUPAC5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC
InChIInChI=1S/C19H28N4O2S/c1-22(2)19-20-11-16(26-19)13-23-9-5-6-15(12-23)21-14-7-8-17(24-3)18(10-14)25-4/h7-8,10-11,15,21H,5-6,9,12-13H2,1-4H3
InChIKeyUELSTDUSEUNGLW-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.30
Rot. Bonds7

About 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 45228967) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID45228967
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC
InChIInChI=1S/C19H28N4O2S/c1-22(2)19-20-11-16(26-19)13-23-9-5-6-15(12-23)21-14-7-8-17(24-3)18(10-14)25-4/h7-8,10-11,15,21H,5-6,9,12-13H2,1-4H3
InChIKeyUELSTDUSEUNGLW-UHFFFAOYSA-N
XLogP3.30
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine 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 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 45228967) is 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is COc1ccc(NC2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC.
What is the InChIKey of 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is UELSTDUSEUNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-22(2)19-20-11-16(26-19)13-23-9-5-6-15(12-23)21-14-7-8-17(24-3)18(10-14)25-4/h7-8,10-11,15,21H,5-6,9,12-13H2,1-4H3.
What are the key properties of 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 376.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 45228967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).