(3,4-diaminophenyl)-thiophen-2-ylmethanone

C11H10N2OS — CID 612694

IUPAC(3,4-diaminophenyl)-thiophen-2-ylmethanone
SMILESNc1ccc(C(=O)c2cccs2)cc1N
InChIInChI=1S/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2
InChIKeyOVVRQDDFAJNUGP-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.14
Rot. Bonds2

About (3,4-diaminophenyl)-thiophen-2-ylmethanone

(3,4-diaminophenyl)-thiophen-2-ylmethanone (PubChem CID 612694) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (3,4-diaminophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,4-diaminophenyl)-thiophen-2-ylmethanone
PubChem CID612694
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(3,4-diaminophenyl)-thiophen-2-ylmethanone
SMILESNc1ccc(C(=O)c2cccs2)cc1N
InChIInChI=1S/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2
InChIKeyOVVRQDDFAJNUGP-UHFFFAOYSA-N
XLogP2.14
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 (3,4-diaminophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3,4-diaminophenyl)-thiophen-2-ylmethanone (CID 612694) is (3,4-diaminophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,4-diaminophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,4-diaminophenyl)-thiophen-2-ylmethanone is Nc1ccc(C(=O)c2cccs2)cc1N.
What is the InChIKey of (3,4-diaminophenyl)-thiophen-2-ylmethanone?
The InChIKey is OVVRQDDFAJNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6H,12-13H2.
What are the key properties of (3,4-diaminophenyl)-thiophen-2-ylmethanone?
(3,4-diaminophenyl)-thiophen-2-ylmethanone has a molecular weight of 218.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 612694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).