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

C18H19N3OS2 — CID 23820197

IUPAC4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCSc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C18H19N3OS2/c1-13(2)20-18-21(16(12-24-18)17-5-4-10-22-17)19-11-14-6-8-15(23-3)9-7-14/h4-13H,1-3H3/b19-11?,20-18-
InChIKeyYNVOEVBQKNTYLC-UOANZAOFSA-N
MW357.50 g/mol
LogP4.72
Rot. Bonds5

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

4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23820197) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23820197
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCSc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C18H19N3OS2/c1-13(2)20-18-21(16(12-24-18)17-5-4-10-22-17)19-11-14-6-8-15(23-3)9-7-14/h4-13H,1-3H3/b19-11?,20-18-
InChIKeyYNVOEVBQKNTYLC-UOANZAOFSA-N
XLogP4.72
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.72
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

4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
2-[(E)-[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135607258
4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310
N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23988522
N-(2-fluorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23994806
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154
N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23822766
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23791755
(E)-4-(3,4-dichlorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6902734
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23964463

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (CID 23820197) is 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is CSc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\C(C)C)cc1.
What is the InChIKey of 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is YNVOEVBQKNTYLC-UOANZAOFSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13(2)20-18-21(16(12-24-18)17-5-4-10-22-17)19-11-14-6-8-15(23-3)9-7-14/h4-13H,1-3H3/b19-11?,20-18-.
What are the key properties of 4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 357.50 g/mol, XLogP of 4.72, 5 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-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23820197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).