2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium

C10H14FN2S2+ — CID 123808042

IUPAC2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium
SMILESCSc1cnc(C/C=[N+](\C)C=C(C)F)s1
InChIInChI=1S/C10H14FN2S2/c1-8(11)7-13(2)5-4-9-12-6-10(14-3)15-9/h5-7H,4H2,1-3H3/q+1/b8-7?,13-5+
InChIKeyVFQVFDYWYPFCPE-SRLZOGSTSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds4

About 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium

2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium (PubChem CID 123808042) has the molecular formula C10H14FN2S2+ and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium.

Molecular Properties

Compound Name2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium
PubChem CID123808042
Molecular FormulaC10H14FN2S2+
Molecular Weight245.37 g/mol
Exact Mass245.06
IUPAC Name2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium
SMILESCSc1cnc(C/C=[N+](\C)C=C(C)F)s1
InChIInChI=1S/C10H14FN2S2/c1-8(11)7-13(2)5-4-9-12-6-10(14-3)15-9/h5-7H,4H2,1-3H3/q+1/b8-7?,13-5+
InChIKeyVFQVFDYWYPFCPE-SRLZOGSTSA-N
XLogP2.95
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium 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 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium?
The IUPAC name of 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium (CID 123808042) is 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium.
What is the SMILES notation for 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium?
The canonical SMILES for 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium is CSc1cnc(C/C=[N+](\C)C=C(C)F)s1.
What is the InChIKey of 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium?
The InChIKey is VFQVFDYWYPFCPE-SRLZOGSTSA-N. The full InChI is InChI=1S/C10H14FN2S2/c1-8(11)7-13(2)5-4-9-12-6-10(14-3)15-9/h5-7H,4H2,1-3H3/q+1/b8-7?,13-5+.
What are the key properties of 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium?
2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium has a molecular weight of 245.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-1-enyl-methyl-[2-(5-methylsulfanyl-1,3-thiazol-2-yl)ethylidene]azanium is sourced from PubChem (CID 123808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).