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

C23H18N4OS — CID 135573853

IUPACN-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)13-25-23-27(21(16-29-23)22-11-6-12-28-22)26-15-18-14-24-20-10-5-4-9-19(18)20/h1-12,14-16,24H,13H2/b25-23-,26-15?
InChIKeyBIWBNMJWHRTPPI-MERYLAAMSA-N
MW398.49 g/mol
LogP5.27
Rot. Bonds5

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

N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 135573853) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID135573853
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC NameN-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)13-25-23-27(21(16-29-23)22-11-6-12-28-22)26-15-18-14-24-20-10-5-4-9-19(18)20/h1-12,14-16,24H,13H2/b25-23-,26-15?
InChIKeyBIWBNMJWHRTPPI-MERYLAAMSA-N
XLogP5.27
TPSA58.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 135799678
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-[(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
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23876038
3-[(2,3-dimethoxyphenyl)methylideneamino]-4-(furan-2-yl)-N-(2-phenylethyl)-1,3-thiazol-2-imine
CID 23910705
N-ethyl-4-(furan-2-yl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2459841
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 135573853) is N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine is C(=Nn1c(-c2ccco2)cs/c1=N\Cc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BIWBNMJWHRTPPI-MERYLAAMSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-2-7-17(8-3-1)13-25-23-27(21(16-29-23)22-11-6-12-28-22)26-15-18-14-24-20-10-5-4-9-19(18)20/h1-12,14-16,24H,13H2/b25-23-,26-15?.
What are the key properties of N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine?
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 398.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 135573853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).