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

C16H20N2OS — CID 83002365

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCc3sccc3C2)ccc1N
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-9-13(3-4-14(15)17)18-7-5-16-12(10-18)6-8-20-16/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyDUGYDJBNSYXKTB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.68
Rot. Bonds3

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline (PubChem CID 83002365) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
PubChem CID83002365
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCc3sccc3C2)ccc1N
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-9-13(3-4-14(15)17)18-7-5-16-12(10-18)6-8-20-16/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyDUGYDJBNSYXKTB-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline (CID 83002365) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCc3sccc3C2)ccc1N.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline?
The InChIKey is DUGYDJBNSYXKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)19-15-9-13(3-4-14(15)17)18-7-5-16-12(10-18)6-8-20-16/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline has a molecular weight of 288.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).