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

C20H12F3N3S2 — CID 23794634

IUPACN-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccccc3F)n2N=Cc2ccsc2)c(F)c1
InChIInChI=1S/C20H12F3N3S2/c21-14-5-6-18(17(23)9-14)25-20-26(24-10-13-7-8-27-11-13)19(12-28-20)15-3-1-2-4-16(15)22/h1-12H/b24-10?,25-20-
InChIKeyVIOJCBWCYBXNFH-YIRCUSNBSA-N
MW415.47 g/mol
LogP5.81
Rot. Bonds4

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

N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23794634) has the molecular formula C20H12F3N3S2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23794634
Molecular FormulaC20H12F3N3S2
Molecular Weight415.47 g/mol
Exact Mass415.04
IUPAC NameN-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccccc3F)n2N=Cc2ccsc2)c(F)c1
InChIInChI=1S/C20H12F3N3S2/c21-14-5-6-18(17(23)9-14)25-20-26(24-10-13-7-8-27-11-13)19(12-28-20)15-3-1-2-4-16(15)22/h1-12H/b24-10?,25-20-
InChIKeyVIOJCBWCYBXNFH-YIRCUSNBSA-N
XLogP5.81
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.81
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 N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23794634) is N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccccc3F)n2N=Cc2ccsc2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is VIOJCBWCYBXNFH-YIRCUSNBSA-N. The full InChI is InChI=1S/C20H12F3N3S2/c21-14-5-6-18(17(23)9-14)25-20-26(24-10-13-7-8-27-11-13)19(12-28-20)15-3-1-2-4-16(15)22/h1-12H/b24-10?,25-20-.
What are the key properties of N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 415.47 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-fluorophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).