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

C14H16N2S — CID 62588261

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
SMILESCc1ccc(N)cc1N1CCc2sccc2C1
InChIInChI=1S/C14H16N2S/c1-10-2-3-12(15)8-13(10)16-6-4-14-11(9-16)5-7-17-14/h2-3,5,7-8H,4,6,9,15H2,1H3
InChIKeyYJAVDUDOUCLVGT-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.20
Rot. Bonds1

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline (PubChem CID 62588261) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
PubChem CID62588261
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
SMILESCc1ccc(N)cc1N1CCc2sccc2C1
InChIInChI=1S/C14H16N2S/c1-10-2-3-12(15)8-13(10)16-6-4-14-11(9-16)5-7-17-14/h2-3,5,7-8H,4,6,9,15H2,1H3
InChIKeyYJAVDUDOUCLVGT-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.20
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

methyl 5-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 61313257
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
CID 16774509
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methylbenzonitrile
CID 114016751
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747098
methyl 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82790741
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060692
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methylaniline
CID 63189674
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline (CID 62588261) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline is Cc1ccc(N)cc1N1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline?
The InChIKey is YJAVDUDOUCLVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-2-3-12(15)8-13(10)16-6-4-14-11(9-16)5-7-17-14/h2-3,5,7-8H,4,6,9,15H2,1H3.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline has a molecular weight of 244.36 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline is sourced from PubChem (CID 62588261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).