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

C15H18N2S — CID 62590534

IUPAC4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCc1ccc(N)cc1N1CCc2sccc2C1C
InChIInChI=1S/C15H18N2S/c1-10-3-4-12(16)9-14(10)17-7-5-15-13(11(17)2)6-8-18-15/h3-4,6,8-9,11H,5,7,16H2,1-2H3
InChIKeyPZNRYKOXTWZMIQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.76
Rot. Bonds1

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

4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (PubChem CID 62590534) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
PubChem CID62590534
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESCc1ccc(N)cc1N1CCc2sccc2C1C
InChIInChI=1S/C15H18N2S/c1-10-3-4-12(16)9-14(10)17-7-5-15-13(11(17)2)6-8-18-15/h3-4,6,8-9,11H,5,7,16H2,1-2H3
InChIKeyPZNRYKOXTWZMIQ-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011052
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 55189789
5-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-4-amine
CID 83265918
[3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanol
CID 55040315
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63786834
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
CID 103958758
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
methyl 4-amino-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82777811
5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 81233771
(1R)-1-[3-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63368949

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The IUPAC name of 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (CID 62590534) is 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.
What is the SMILES notation for 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The canonical SMILES for 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is Cc1ccc(N)cc1N1CCc2sccc2C1C.
What is the InChIKey of 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The InChIKey is PZNRYKOXTWZMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-3-4-12(16)9-14(10)17-7-5-15-13(11(17)2)6-8-18-15/h3-4,6,8-9,11H,5,7,16H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline has a molecular weight of 258.39 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is sourced from PubChem (CID 62590534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).