3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H15F2N3S2 — CID 23761613

IUPAC3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2cccs2)n1N=Cc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3S2/c1-12(2)9-21-18-23(16(11-25-18)17-4-3-7-24-17)22-10-13-5-6-14(19)8-15(13)20/h3-8,10-11H,1,9H2,2H3/b21-18-,22-10?
InChIKeyPXQPJKUAWJESPW-HLUVLNGZSA-N
MW375.47 g/mol
LogP4.92
Rot. Bonds5

About 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23761613) has the molecular formula C18H15F2N3S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23761613
Molecular FormulaC18H15F2N3S2
Molecular Weight375.47 g/mol
Exact Mass375.07
IUPAC Name3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2cccs2)n1N=Cc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3S2/c1-12(2)9-21-18-23(16(11-25-18)17-4-3-7-24-17)22-10-13-5-6-14(19)8-15(13)20/h3-8,10-11H,1,9H2,2H3/b21-18-,22-10?
InChIKeyPXQPJKUAWJESPW-HLUVLNGZSA-N
XLogP4.92
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.92
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 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23761613) is 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2cccs2)n1N=Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is PXQPJKUAWJESPW-HLUVLNGZSA-N. The full InChI is InChI=1S/C18H15F2N3S2/c1-12(2)9-21-18-23(16(11-25-18)17-4-3-7-24-17)22-10-13-5-6-14(19)8-15(13)20/h3-8,10-11H,1,9H2,2H3/b21-18-,22-10?.
What are the key properties of 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 375.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23761613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).