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

C13H14N2S — CID 16775794

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESNc1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C13H14N2S/c14-11-1-3-12(4-2-11)15-7-5-13-10(9-15)6-8-16-13/h1-4,6,8H,5,7,9,14H2
InChIKeyZRAXQPNEXXVMQA-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.89
Rot. Bonds1

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (PubChem CID 16775794) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
PubChem CID16775794
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
SMILESNc1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C13H14N2S/c14-11-1-3-12(4-2-11)15-7-5-13-10(9-15)6-8-16-13/h1-4,6,8H,5,7,9,14H2
InChIKeyZRAXQPNEXXVMQA-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline (CID 16775794) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is Nc1ccc(N2CCc3sccc3C2)cc1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
The InChIKey is ZRAXQPNEXXVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-11-1-3-12(4-2-11)15-7-5-13-10(9-15)6-8-16-13/h1-4,6,8H,5,7,9,14H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline has a molecular weight of 230.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline is sourced from PubChem (CID 16775794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).