4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

C17H14FN3S2 — CID 5090393

IUPAC4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1cccs1
InChIInChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11?
InChIKeyLCMFBBBEIYJOOQ-JJBJCRQGSA-N
MW343.45 g/mol
LogP4.39
Rot. Bonds5

About 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 5090393) has the molecular formula C17H14FN3S2 and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID5090393
Molecular FormulaC17H14FN3S2
Molecular Weight343.45 g/mol
Exact Mass343.06
IUPAC Name4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1cccs1
InChIInChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11?
InChIKeyLCMFBBBEIYJOOQ-JJBJCRQGSA-N
XLogP4.39
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 5090393) is 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1cccs1.
What is the InChIKey of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LCMFBBBEIYJOOQ-JJBJCRQGSA-N. The full InChI is InChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11?.
What are the key properties of 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 343.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 5090393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).