4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline

C17H22N2OS — CID 63678140

IUPAC4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCc3sccc3C2C)ccc1N
InChIInChI=1S/C17H22N2OS/c1-3-9-20-16-11-13(4-5-15(16)18)19-8-6-17-14(12(19)2)7-10-21-17/h4-5,7,10-12H,3,6,8-9,18H2,1-2H3
InChIKeyZVVDWZKCIAJXDR-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.24
Rot. Bonds4

About 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline

4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline (PubChem CID 63678140) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline.

Molecular Properties

Compound Name4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
PubChem CID63678140
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCc3sccc3C2C)ccc1N
InChIInChI=1S/C17H22N2OS/c1-3-9-20-16-11-13(4-5-15(16)18)19-8-6-17-14(12(19)2)7-10-21-17/h4-5,7,10-12H,3,6,8-9,18H2,1-2H3
InChIKeyZVVDWZKCIAJXDR-UHFFFAOYSA-N
XLogP4.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline 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 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline?
The IUPAC name of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline (CID 63678140) is 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline.
What is the SMILES notation for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline?
The canonical SMILES for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline is CCCOc1cc(N2CCc3sccc3C2C)ccc1N.
What is the InChIKey of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline?
The InChIKey is ZVVDWZKCIAJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-9-20-16-11-13(4-5-15(16)18)19-8-6-17-14(12(19)2)7-10-21-17/h4-5,7,10-12H,3,6,8-9,18H2,1-2H3.
What are the key properties of 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline?
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline has a molecular weight of 302.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxyaniline is sourced from PubChem (CID 63678140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).