(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C14H13N3OS2 — CID 6907322

IUPAC(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccco2)n1/N=C/c1sccc1C
InChIInChI=1S/C14H13N3OS2/c1-10-5-7-19-13(10)8-16-17-11(9-20-14(17)15-2)12-4-3-6-18-12/h3-9H,1-2H3/b15-14-,16-8+
InChIKeyZSJHLLKARBUBHG-YOLTYTDCSA-N
MW303.41 g/mol
LogP3.59
Rot. Bonds3

About (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6907322) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6907322
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccco2)n1/N=C/c1sccc1C
InChIInChI=1S/C14H13N3OS2/c1-10-5-7-19-13(10)8-16-17-11(9-20-14(17)15-2)12-4-3-6-18-12/h3-9H,1-2H3/b15-14-,16-8+
InChIKeyZSJHLLKARBUBHG-YOLTYTDCSA-N
XLogP3.59
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 6907322) is (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccco2)n1/N=C/c1sccc1C.
What is the InChIKey of (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is ZSJHLLKARBUBHG-YOLTYTDCSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-10-5-7-19-13(10)8-16-17-11(9-20-14(17)15-2)12-4-3-6-18-12/h3-9H,1-2H3/b15-14-,16-8+.
What are the key properties of (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
(E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 303.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-2-yl)-N-methyl-3-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).