9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine

C22H18N4S — CID 15983180

IUPAC9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine
SMILESCCn1c2ccccc2c2cc(Nc3cc(-c4ccsc4)ncn3)ccc21
InChIInChI=1S/C22H18N4S/c1-2-26-20-6-4-3-5-17(20)18-11-16(7-8-21(18)26)25-22-12-19(23-14-24-22)15-9-10-27-13-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyWENKFMNXTJPSJO-UHFFFAOYSA-N
MW370.48 g/mol
LogP6.08
Rot. Bonds4

About 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine

9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine (PubChem CID 15983180) has the molecular formula C22H18N4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine
PubChem CID15983180
Molecular FormulaC22H18N4S
Molecular Weight370.48 g/mol
Exact Mass370.13
IUPAC Name9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine
SMILESCCn1c2ccccc2c2cc(Nc3cc(-c4ccsc4)ncn3)ccc21
InChIInChI=1S/C22H18N4S/c1-2-26-20-6-4-3-5-17(20)18-11-16(7-8-21(18)26)25-22-12-19(23-14-24-22)15-9-10-27-13-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyWENKFMNXTJPSJO-UHFFFAOYSA-N
XLogP6.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine?
The IUPAC name of 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine (CID 15983180) is 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine.
What is the SMILES notation for 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine?
The canonical SMILES for 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine is CCn1c2ccccc2c2cc(Nc3cc(-c4ccsc4)ncn3)ccc21.
What is the InChIKey of 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine?
The InChIKey is WENKFMNXTJPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4S/c1-2-26-20-6-4-3-5-17(20)18-11-16(7-8-21(18)26)25-22-12-19(23-14-24-22)15-9-10-27-13-15/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine?
9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine has a molecular weight of 370.48 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(6-thiophen-3-ylpyrimidin-4-yl)carbazol-3-amine is sourced from PubChem (CID 15983180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).