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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Related Compounds

N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23907971
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
4-[C-methyl-N-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135856252
4-[C-methyl-N-[2-(2-phenylethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]carbonimidoyl]benzene-1,3-diol
CID 135718947
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23912172
4-[N-[2-(3,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135739971
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
1-ethyl-3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]indol-2-one
CID 23990071
4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23966153
2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 135819318
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23799743

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).