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

C16H15N3O2S — CID 23734286

IUPAC4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccco2)n1N=Cc1ccccc1OC
InChIInChI=1S/C16H15N3O2S/c1-17-16-19(13(11-22-16)15-8-5-9-21-15)18-10-12-6-3-4-7-14(12)20-2/h3-11H,1-2H3/b17-16-,18-10?
InChIKeyJIULVHPIVRTCPB-OBGCEDAVSA-N
MW313.38 g/mol
LogP3.23
Rot. Bonds4

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

4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 23734286) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID23734286
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccco2)n1N=Cc1ccccc1OC
InChIInChI=1S/C16H15N3O2S/c1-17-16-19(13(11-22-16)15-8-5-9-21-15)18-10-12-6-3-4-7-14(12)20-2/h3-11H,1-2H3/b17-16-,18-10?
InChIKeyJIULVHPIVRTCPB-OBGCEDAVSA-N
XLogP3.23
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dimethoxyphenyl)methylideneamino]-4-(furan-2-yl)-N-(2-phenylethyl)-1,3-thiazol-2-imine
CID 23910705
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
2-[(E)-[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135607258
4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23855315
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
3-(furan-2-yl)-4-[(Z)-(2-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5425008
2-bromo-4-[[2-(2-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135778689
4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310
2-bromo-4-[[4-(furan-2-yl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135718881
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
4-bromo-2-[[4-(furan-2-yl)-2-phenylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135584429
4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135584364

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 23734286) is 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccco2)n1N=Cc1ccccc1OC.
What is the InChIKey of 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is JIULVHPIVRTCPB-OBGCEDAVSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-17-16-19(13(11-22-16)15-8-5-9-21-15)18-10-12-6-3-4-7-14(12)20-2/h3-11H,1-2H3/b17-16-,18-10?.
What are the key properties of 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 313.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23734286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).