(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone

C19H13NO2S2 — CID 90880196

IUPAC(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone
SMILESNc1c(-c2cccs2)csc1C(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C19H13NO2S2/c20-17-14(16-8-4-10-23-16)11-24-19(17)18(21)13-6-2-1-5-12(13)15-7-3-9-22-15/h1-11H,20H2
InChIKeyYPVZTRYXGCWDPS-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.55
Rot. Bonds4

About (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone

(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone (PubChem CID 90880196) has the molecular formula C19H13NO2S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone
PubChem CID90880196
Molecular FormulaC19H13NO2S2
Molecular Weight351.45 g/mol
Exact Mass351.04
IUPAC Name(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone
SMILESNc1c(-c2cccs2)csc1C(=O)c1ccccc1-c1ccco1
InChIInChI=1S/C19H13NO2S2/c20-17-14(16-8-4-10-23-16)11-24-19(17)18(21)13-6-2-1-5-12(13)15-7-3-9-22-15/h1-11H,20H2
InChIKeyYPVZTRYXGCWDPS-UHFFFAOYSA-N
XLogP5.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone?
The IUPAC name of (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone (CID 90880196) is (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone?
The canonical SMILES for (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone is Nc1c(-c2cccs2)csc1C(=O)c1ccccc1-c1ccco1.
What is the InChIKey of (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone?
The InChIKey is YPVZTRYXGCWDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S2/c20-17-14(16-8-4-10-23-16)11-24-19(17)18(21)13-6-2-1-5-12(13)15-7-3-9-22-15/h1-11H,20H2.
What are the key properties of (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone?
(3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone has a molecular weight of 351.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-thiophen-2-ylthiophen-2-yl)-[2-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 90880196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).