3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile

C18H14N6S — CID 135530835

IUPAC3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile
SMILESCCc1cc2c(N/N=C/c3c[nH]c4ccc(C#N)cc34)ncnc2s1
InChIInChI=1S/C18H14N6S/c1-2-13-6-15-17(21-10-22-18(15)25-13)24-23-9-12-8-20-16-4-3-11(7-19)5-14(12)16/h3-6,8-10,20H,2H2,1H3,(H,21,22,24)/b23-9+
InChIKeyKHZROKJBTCEISM-NUGSKGIGSA-N
MW346.42 g/mol
LogP4.05
Rot. Bonds4

About 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile

3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile (PubChem CID 135530835) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile
PubChem CID135530835
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile
SMILESCCc1cc2c(N/N=C/c3c[nH]c4ccc(C#N)cc34)ncnc2s1
InChIInChI=1S/C18H14N6S/c1-2-13-6-15-17(21-10-22-18(15)25-13)24-23-9-12-8-20-16-4-3-11(7-19)5-14(12)16/h3-6,8-10,20H,2H2,1H3,(H,21,22,24)/b23-9+
InChIKeyKHZROKJBTCEISM-NUGSKGIGSA-N
XLogP4.05
TPSA89.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile (CID 135530835) is 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile is CCc1cc2c(N/N=C/c3c[nH]c4ccc(C#N)cc34)ncnc2s1.
What is the InChIKey of 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile?
The InChIKey is KHZROKJBTCEISM-NUGSKGIGSA-N. The full InChI is InChI=1S/C18H14N6S/c1-2-13-6-15-17(21-10-22-18(15)25-13)24-23-9-12-8-20-16-4-3-11(7-19)5-14(12)16/h3-6,8-10,20H,2H2,1H3,(H,21,22,24)/b23-9+.
What are the key properties of 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile?
3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile has a molecular weight of 346.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 135530835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).