(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone

C19H18N2OS2 — CID 10155112

IUPAC(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
SMILESNc1sc2c(c1C(=O)c1cccs1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H18N2OS2/c20-19-17(18(22)15-7-4-10-23-15)14-8-9-21(12-16(14)24-19)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12,20H2
InChIKeyIVHNHWXODHKOGV-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.18
Rot. Bonds4

About (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone

(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone (PubChem CID 10155112) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
PubChem CID10155112
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone
SMILESNc1sc2c(c1C(=O)c1cccs1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H18N2OS2/c20-19-17(18(22)15-7-4-10-23-15)14-8-9-21(12-16(14)24-19)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12,20H2
InChIKeyIVHNHWXODHKOGV-UHFFFAOYSA-N
XLogP4.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone (CID 10155112) is (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone is Nc1sc2c(c1C(=O)c1cccs1)CCN(Cc1ccccc1)C2.
What is the InChIKey of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone?
The InChIKey is IVHNHWXODHKOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c20-19-17(18(22)15-7-4-10-23-15)14-8-9-21(12-16(14)24-19)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12,20H2.
What are the key properties of (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone?
(2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone has a molecular weight of 354.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 10155112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).