(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine

C8H10N2S — CID 143154757

IUPAC(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine
SMILESC=N/C(C)=C1/C=CS/C1=N\C
InChIInChI=1S/C8H10N2S/c1-6(9-2)7-4-5-11-8(7)10-3/h4-5H,2H2,1,3H3/b7-6-,10-8-
InChIKeyODEONKGEGQCKDW-INZNQPOWSA-N
MW166.25 g/mol
LogP2.25
Rot. Bonds1

About (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine

(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine (PubChem CID 143154757) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine
PubChem CID143154757
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine
SMILESC=N/C(C)=C1/C=CS/C1=N\C
InChIInChI=1S/C8H10N2S/c1-6(9-2)7-4-5-11-8(7)10-3/h4-5H,2H2,1,3H3/b7-6-,10-8-
InChIKeyODEONKGEGQCKDW-INZNQPOWSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethylidene-N-methylthiophen-2-imine
CID 123936114
6-Propan-2-yl-10-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722117
N-[(1Z)-1-(2-methylidenethiophen-3-ylidene)ethyl]methanimine
CID 143794591
(3E)-3-butan-2-ylidene-N-methylthiophen-2-imine
CID 163994992
(3Z)-3-ethylidene-N-methylthiophen-2-imine
CID 164596100
ethenyl (2E,4Z)-2-ethenyl-N-methylhexa-2,4-dienimidothioate
CID 169883010
N-ethenyl-3-propan-2-ylidenethiophen-2-imine
CID 172242034
(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640283

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine?
The IUPAC name of (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine (CID 143154757) is (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine.
What is the SMILES notation for (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine?
The canonical SMILES for (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine is C=N/C(C)=C1/C=CS/C1=N\C.
What is the InChIKey of (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine?
The InChIKey is ODEONKGEGQCKDW-INZNQPOWSA-N. The full InChI is InChI=1S/C8H10N2S/c1-6(9-2)7-4-5-11-8(7)10-3/h4-5H,2H2,1,3H3/b7-6-,10-8-.
What are the key properties of (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine?
(3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine has a molecular weight of 166.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-[1-(methylideneamino)ethylidene]thiophen-2-imine is sourced from PubChem (CID 143154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).