4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine

C19H16N4OS — CID 2481548

IUPAC4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N4OS/c1-2-9-20-19-23(17(13-25-19)18-8-5-10-24-18)22-12-14-11-21-16-7-4-3-6-15(14)16/h2-8,10-13,21H,1,9H2/b20-19-,22-12?
InChIKeyDXUQUPGNAQKCKA-WXLRNJKISA-N
MW348.43 g/mol
LogP4.26
Rot. Bonds5

About 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine

4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 2481548) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID2481548
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N4OS/c1-2-9-20-19-23(17(13-25-19)18-8-5-10-24-18)22-12-14-11-21-16-7-4-3-6-15(14)16/h2-8,10-13,21H,1,9H2/b20-19-,22-12?
InChIKeyDXUQUPGNAQKCKA-WXLRNJKISA-N
XLogP4.26
TPSA58.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 135580167
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2473772
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 135799678
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
4-[[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 2436095
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
CID 135676704
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23734286

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 2481548) is 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccco2)n1N=Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is DXUQUPGNAQKCKA-WXLRNJKISA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-9-20-19-23(17(13-25-19)18-8-5-10-24-18)22-12-14-11-21-16-7-4-3-6-15(14)16/h2-8,10-13,21H,1,9H2/b20-19-,22-12?.
What are the key properties of 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 348.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2481548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).