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

C16H17N3OS2 — CID 23912172

IUPAC3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\C(C)C)c1ccco1
InChIInChI=1S/C16H17N3OS2/c1-11(2)17-16-19(18-12(3)14-6-4-8-20-14)13(10-22-16)15-7-5-9-21-15/h4-11H,1-3H3/b17-16-,18-12?
InChIKeyCURSCTGZHNHZFN-QELPZIAFSA-N
MW331.47 g/mol
LogP4.45
Rot. Bonds4

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

3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23912172) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23912172
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\C(C)C)c1ccco1
InChIInChI=1S/C16H17N3OS2/c1-11(2)17-16-19(18-12(3)14-6-4-8-20-14)13(10-22-16)15-7-5-9-21-15/h4-11H,1-3H3/b17-16-,18-12?
InChIKeyCURSCTGZHNHZFN-QELPZIAFSA-N
XLogP4.45
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.45
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-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23908285
3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23764740
4-(2,4-dichlorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23966153
N-benzyl-4-(2-fluorophenyl)-3-[1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 23878605
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23910396
3-[1-(furan-2-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23821389
4-[C-methyl-N-[2-(2-phenylethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]carbonimidoyl]benzene-1,3-diol
CID 135718947
(Z)-4-(2,5-dimethoxyphenyl)-N-ethyl-3-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-imine
CID 6283588
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23912172) is 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccs2)cs/c1=N\C(C)C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is CURSCTGZHNHZFN-QELPZIAFSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-11(2)17-16-19(18-12(3)14-6-4-8-20-14)13(10-22-16)15-7-5-9-21-15/h4-11H,1-3H3/b17-16-,18-12?.
What are the key properties of 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 331.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23912172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).