(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

C15H12FN3S2 — CID 6906386

IUPAC(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccsc1
InChIInChI=1S/C15H12FN3S2/c1-17-15-19(18-8-11-6-7-20-9-11)14(10-21-15)12-4-2-3-5-13(12)16/h2-10H,1H3/b17-15-,18-8+
InChIKeyJLUWPQQQHQATQQ-MDCRQLBCSA-N
MW317.41 g/mol
LogP3.83
Rot. Bonds3

About (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6906386) has the molecular formula C15H12FN3S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6906386
Molecular FormulaC15H12FN3S2
Molecular Weight317.41 g/mol
Exact Mass317.05
IUPAC Name(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccsc1
InChIInChI=1S/C15H12FN3S2/c1-17-15-19(18-8-11-6-7-20-9-11)14(10-21-15)12-4-2-3-5-13(12)16/h2-10H,1H3/b17-15-,18-8+
InChIKeyJLUWPQQQHQATQQ-MDCRQLBCSA-N
XLogP3.83
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6906386) is (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccsc1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is JLUWPQQQHQATQQ-MDCRQLBCSA-N. The full InChI is InChI=1S/C15H12FN3S2/c1-17-15-19(18-8-11-6-7-20-9-11)14(10-21-15)12-4-2-3-5-13(12)16/h2-10H,1H3/b17-15-,18-8+.
What are the key properties of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 317.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6906386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).