(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine

C15H12N2S3 — CID 177399680

IUPAC(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine
SMILESC(=N/C(/N=C/c1ccsc1)c1ccsc1)\c1ccsc1
InChIInChI=1S/C15H12N2S3/c1-4-18-9-12(1)7-16-15(14-3-6-20-11-14)17-8-13-2-5-19-10-13/h1-11,15H/b16-7+,17-8+
InChIKeyNVUFHFMHPFFCKX-GDWCLCACSA-N
MW316.48 g/mol
LogP5.11
Rot. Bonds5

About (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine

(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine (PubChem CID 177399680) has the molecular formula C15H12N2S3 and a molecular weight of 316.48 g/mol. Its IUPAC name is (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine.

Molecular Properties

Compound Name(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine
PubChem CID177399680
Molecular FormulaC15H12N2S3
Molecular Weight316.48 g/mol
Exact Mass316.02
IUPAC Name(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine
SMILESC(=N/C(/N=C/c1ccsc1)c1ccsc1)\c1ccsc1
InChIInChI=1S/C15H12N2S3/c1-4-18-9-12(1)7-16-15(14-3-6-20-11-14)17-8-13-2-5-19-10-13/h1-11,15H/b16-7+,17-8+
InChIKeyNVUFHFMHPFFCKX-GDWCLCACSA-N
XLogP5.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine with MolForge

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Related Compounds

thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine
CID 161014446
N-[(E)-thiophen-3-ylmethylideneamino]formamide
CID 6903063
methanamine;2-methylpropyl (NZ)-N-(thiophen-3-ylmethylidene)carbamate
CID 142239486
N-pyrimidin-5-yl-1-thiophen-3-ylmethanimine
CID 131238198
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-methyl-3-thiophen-3-ylprop-2-en-1-amine
CID 79347337
dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
CID 86573341
phenyl-(thiophen-3-ylmethylideneamino)carbamic acid
CID 67900003
N-[3,4-bis(trifluoromethyl)phenyl]-1-thiophen-3-ylmethanimine
CID 2358299

Frequently Asked Questions

What is the IUPAC name of (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine?
The IUPAC name of (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine (CID 177399680) is (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine.
What is the SMILES notation for (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine?
The canonical SMILES for (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine is C(=N/C(/N=C/c1ccsc1)c1ccsc1)\c1ccsc1.
What is the InChIKey of (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine?
The InChIKey is NVUFHFMHPFFCKX-GDWCLCACSA-N. The full InChI is InChI=1S/C15H12N2S3/c1-4-18-9-12(1)7-16-15(14-3-6-20-11-14)17-8-13-2-5-19-10-13/h1-11,15H/b16-7+,17-8+.
What are the key properties of (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine?
(E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine has a molecular weight of 316.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-thiophen-3-yl-N-[thiophen-3-yl-[(E)-thiophen-3-ylmethylideneamino]methyl]methanimine is sourced from PubChem (CID 177399680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).