4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

C17H16FN3S2 — CID 23855257

IUPAC4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1ccsc1
InChIInChI=1S/C17H16FN3S2/c1-12(2)20-17-21(19-9-13-7-8-22-10-13)16(11-23-17)14-5-3-4-6-15(14)18/h3-12H,1-2H3/b19-9?,20-17-
InChIKeyWXGPMTOEXGXFFA-NANMFRCHSA-N
MW345.47 g/mol
LogP4.61
Rot. Bonds4

About 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23855257) has the molecular formula C17H16FN3S2 and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23855257
Molecular FormulaC17H16FN3S2
Molecular Weight345.47 g/mol
Exact Mass345.08
IUPAC Name4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1ccsc1
InChIInChI=1S/C17H16FN3S2/c1-12(2)20-17-21(19-9-13-7-8-22-10-13)16(11-23-17)14-5-3-4-6-15(14)18/h3-12H,1-2H3/b19-9?,20-17-
InChIKeyWXGPMTOEXGXFFA-NANMFRCHSA-N
XLogP4.61
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675448
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675449
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
4-(2-fluorophenyl)-N-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365564
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6902627
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6904176
(E)-4-(4-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904582
(E)-4-(2-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904698
N-[(2-fluoro-5-methylphenyl)methyl]-N-[(E)-[(3E,5Z)-7-methyliminohepta-3,5-dien-2-ylidene]amino]-1-thiophen-2-ylethenamine
CID 129169456
N-ethyl-3-[(4-methylsulfanylphenyl)methylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 2110124
3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2366363

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23855257) is 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is CC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1ccsc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is WXGPMTOEXGXFFA-NANMFRCHSA-N. The full InChI is InChI=1S/C17H16FN3S2/c1-12(2)20-17-21(19-9-13-7-8-22-10-13)16(11-23-17)14-5-3-4-6-15(14)18/h3-12H,1-2H3/b19-9?,20-17-.
What are the key properties of 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 345.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-propan-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).