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

C18H11F2N3S3 — CID 23733472

IUPACN-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)c(F)c1
InChIInChI=1S/C18H11F2N3S3/c19-13-3-4-15(14(20)8-13)22-18-23(21-9-12-5-7-24-10-12)16(11-26-18)17-2-1-6-25-17/h1-11H/b21-9?,22-18-
InChIKeyDFVOHUXPCXFKCK-JXCYNEGKSA-N
MW403.50 g/mol
LogP5.73
Rot. Bonds4

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

N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23733472) has the molecular formula C18H11F2N3S3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23733472
Molecular FormulaC18H11F2N3S3
Molecular Weight403.50 g/mol
Exact Mass403.01
IUPAC NameN-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)c(F)c1
InChIInChI=1S/C18H11F2N3S3/c19-13-3-4-15(14(20)8-13)22-18-23(21-9-12-5-7-24-10-12)16(11-26-18)17-2-1-6-25-17/h1-11H/b21-9?,22-18-
InChIKeyDFVOHUXPCXFKCK-JXCYNEGKSA-N
XLogP5.73
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.73
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-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23733472) is N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccsc2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is DFVOHUXPCXFKCK-JXCYNEGKSA-N. The full InChI is InChI=1S/C18H11F2N3S3/c19-13-3-4-15(14(20)8-13)22-18-23(21-9-12-5-7-24-10-12)16(11-26-18)17-2-1-6-25-17/h1-11H/b21-9?,22-18-.
What are the key properties of N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 403.50 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-thiophen-2-yl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23733472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).