5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol

C16H20N2O2S2 — CID 2172807

IUPAC5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol
SMILESCCc1cc(/C=N/CC/N=C/c2cc(CC)sc2O)c(O)s1
InChIInChI=1S/C16H20N2O2S2/c1-3-13-7-11(15(19)21-13)9-17-5-6-18-10-12-8-14(4-2)22-16(12)20/h7-10,19-20H,3-6H2,1-2H3/b17-9+,18-10+
InChIKeyWTXVOBQTAAACBL-BEQMOXJMSA-N
MW336.48 g/mol
LogP3.88
Rot. Bonds7

About 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol

5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol (PubChem CID 2172807) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol.

Molecular Properties

Compound Name5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol
PubChem CID2172807
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol
SMILESCCc1cc(/C=N/CC/N=C/c2cc(CC)sc2O)c(O)s1
InChIInChI=1S/C16H20N2O2S2/c1-3-13-7-11(15(19)21-13)9-17-5-6-18-10-12-8-14(4-2)22-16(12)20/h7-10,19-20H,3-6H2,1-2H3/b17-9+,18-10+
InChIKeyWTXVOBQTAAACBL-BEQMOXJMSA-N
XLogP3.88
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol?
The IUPAC name of 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol (CID 2172807) is 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol.
What is the SMILES notation for 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol?
The canonical SMILES for 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol is CCc1cc(/C=N/CC/N=C/c2cc(CC)sc2O)c(O)s1.
What is the InChIKey of 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol?
The InChIKey is WTXVOBQTAAACBL-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-3-13-7-11(15(19)21-13)9-17-5-6-18-10-12-8-14(4-2)22-16(12)20/h7-10,19-20H,3-6H2,1-2H3/b17-9+,18-10+.
What are the key properties of 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol?
5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol has a molecular weight of 336.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol is sourced from PubChem (CID 2172807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).