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

C18H12FN3S3 — CID 23826858

IUPACN-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)cc1
InChIInChI=1S/C18H12FN3S3/c19-14-3-5-15(6-4-14)21-18-22(20-10-13-7-9-23-11-13)16(12-25-18)17-2-1-8-24-17/h1-12H/b20-10?,21-18-
InChIKeyCQKCMFKTJLTTGX-LUNSJYEISA-N
MW385.51 g/mol
LogP5.59
Rot. Bonds4

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

N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23826858) has the molecular formula C18H12FN3S3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23826858
Molecular FormulaC18H12FN3S3
Molecular Weight385.51 g/mol
Exact Mass385.02
IUPAC NameN-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)cc1
InChIInChI=1S/C18H12FN3S3/c19-14-3-5-15(6-4-14)21-18-22(20-10-13-7-9-23-11-13)16(12-25-18)17-2-1-8-24-17/h1-12H/b20-10?,21-18-
InChIKeyCQKCMFKTJLTTGX-LUNSJYEISA-N
XLogP5.59
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6904176
N-benzyl-4-thiophen-2-yl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2388408
N-(2-fluorophenyl)-4-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2393588
N-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-3-[(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2463108
4-(2-fluorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2473729
3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 3888069
4-(4-cyclohexylphenyl)-N-(2,4-difluorophenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 4563523
4-(2-fluorophenyl)-N-prop-2-enyl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 5090393
(Z)-N-benzyl-4-thiophen-2-yl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 5680034
(Z)-N-(2-fluorophenyl)-4-methyl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 5681130

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23826858) is N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is CQKCMFKTJLTTGX-LUNSJYEISA-N. The full InChI is InChI=1S/C18H12FN3S3/c19-14-3-5-15(6-4-14)21-18-22(20-10-13-7-9-23-11-13)16(12-25-18)17-2-1-8-24-17/h1-12H/b20-10?,21-18-.
What are the key properties of N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 385.51 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23826858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).