4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine

C17H15N3S — CID 68824484

IUPAC4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine
SMILESNc1ccc(NCc2ccsc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H15N3S/c18-13-5-6-15(19-9-11-7-8-21-10-11)16-12-3-1-2-4-14(12)20-17(13)16/h1-8,10,19-20H,9,18H2
InChIKeyZOQSMKJVXPIXJM-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.58
Rot. Bonds3

About 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine

4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine (PubChem CID 68824484) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine.

Molecular Properties

Compound Name4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine
PubChem CID68824484
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine
SMILESNc1ccc(NCc2ccsc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C17H15N3S/c18-13-5-6-15(19-9-11-7-8-21-10-11)16-12-3-1-2-4-14(12)20-17(13)16/h1-8,10,19-20H,9,18H2
InChIKeyZOQSMKJVXPIXJM-UHFFFAOYSA-N
XLogP4.58
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine?
The IUPAC name of 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine (CID 68824484) is 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine.
What is the SMILES notation for 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine?
The canonical SMILES for 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine is Nc1ccc(NCc2ccsc2)c2c1[nH]c1ccccc12.
What is the InChIKey of 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine?
The InChIKey is ZOQSMKJVXPIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c18-13-5-6-15(19-9-11-7-8-21-10-11)16-12-3-1-2-4-14(12)20-17(13)16/h1-8,10,19-20H,9,18H2.
What are the key properties of 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine?
4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine has a molecular weight of 293.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine is sourced from PubChem (CID 68824484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).