(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium

C10H15FNS+ — CID 123870303

IUPAC(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium
SMILESCCc1cc(C)sc1[N+](C)=CCF
InChIInChI=1S/C10H15FNS/c1-4-9-7-8(2)13-10(9)12(3)6-5-11/h6-7H,4-5H2,1-3H3/q+1
InChIKeyULBZUZZZFVWLRY-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.93
Rot. Bonds3

About (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium

(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium (PubChem CID 123870303) has the molecular formula C10H15FNS+ and a molecular weight of 200.30 g/mol. Its IUPAC name is (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium.

Molecular Properties

Compound Name(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium
PubChem CID123870303
Molecular FormulaC10H15FNS+
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium
SMILESCCc1cc(C)sc1[N+](C)=CCF
InChIInChI=1S/C10H15FNS/c1-4-9-7-8(2)13-10(9)12(3)6-5-11/h6-7H,4-5H2,1-3H3/q+1
InChIKeyULBZUZZZFVWLRY-UHFFFAOYSA-N
XLogP2.93
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium?
The IUPAC name of (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium (CID 123870303) is (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium.
What is the SMILES notation for (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium?
The canonical SMILES for (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium is CCc1cc(C)sc1[N+](C)=CCF.
What is the InChIKey of (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium?
The InChIKey is ULBZUZZZFVWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FNS/c1-4-9-7-8(2)13-10(9)12(3)6-5-11/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium?
(3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium has a molecular weight of 200.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methylthiophen-2-yl)-(2-fluoroethylidene)-methylazanium is sourced from PubChem (CID 123870303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).