3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C16H14ClN3S2 — CID 23910396

IUPAC3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccs2)n1N=C(C)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3S2/c1-11(12-6-3-4-7-13(12)17)19-20-14(10-22-16(20)18-2)15-8-5-9-21-15/h3-10H,1-2H3/b18-16-,19-11?
InChIKeyKSQBOMYFIKTBGZ-GWLJXRGASA-N
MW347.90 g/mol
LogP4.73
Rot. Bonds3

About 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23910396) has the molecular formula C16H14ClN3S2 and a molecular weight of 347.90 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23910396
Molecular FormulaC16H14ClN3S2
Molecular Weight347.90 g/mol
Exact Mass347.03
IUPAC Name3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cccs2)n1N=C(C)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3S2/c1-11(12-6-3-4-7-13(12)17)19-20-14(10-22-16(20)18-2)15-8-5-9-21-15/h3-10H,1-2H3/b18-16-,19-11?
InChIKeyKSQBOMYFIKTBGZ-GWLJXRGASA-N
XLogP4.73
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.90
LogP ≤ 54.73
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 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23910396) is 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine is C/N=c1\scc(-c2cccs2)n1N=C(C)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is KSQBOMYFIKTBGZ-GWLJXRGASA-N. The full InChI is InChI=1S/C16H14ClN3S2/c1-11(12-6-3-4-7-13(12)17)19-20-14(10-22-16(20)18-2)15-8-5-9-21-15/h3-10H,1-2H3/b18-16-,19-11?.
What are the key properties of 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 347.90 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23910396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).