4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

C17H15Cl2N3OS — CID 23906200

IUPAC4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)o1
InChIInChI=1S/C17H15Cl2N3OS/c1-3-20-17-22(21-9-13-6-4-11(2)23-13)16(10-24-17)14-8-12(18)5-7-15(14)19/h4-10H,3H2,1-2H3/b20-17-,21-9?
InChIKeyJCAXOZKYOQACHW-YQVZUPQZSA-N
MW380.30 g/mol
LogP5.23
Rot. Bonds4

About 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine

4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23906200) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23906200
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC Name4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)o1
InChIInChI=1S/C17H15Cl2N3OS/c1-3-20-17-22(21-9-13-6-4-11(2)23-13)16(10-24-17)14-8-12(18)5-7-15(14)19/h4-10H,3H2,1-2H3/b20-17-,21-9?
InChIKeyJCAXOZKYOQACHW-YQVZUPQZSA-N
XLogP5.23
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.23
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 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23906200) is 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=Cc1ccc(C)o1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is JCAXOZKYOQACHW-YQVZUPQZSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/c1-3-20-17-22(21-9-13-6-4-11(2)23-13)16(10-24-17)14-8-12(18)5-7-15(14)19/h4-10H,3H2,1-2H3/b20-17-,21-9?.
What are the key properties of 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 380.30 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-ethyl-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23906200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).