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

C24H23N3O4S — CID 23878510

IUPACN-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H23N3O4S/c1-28-21-12-11-18(22(29-2)23(21)30-3)15-26-27-19(20-10-7-13-31-20)16-32-24(27)25-14-17-8-5-4-6-9-17/h4-13,15-16H,14H2,1-3H3/b25-24-,26-15?
InChIKeySCJJWEJHCVQLHA-PJVDOAQVSA-N
MW449.53 g/mol
LogP4.82
Rot. Bonds8

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

N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23878510) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23878510
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\Cc2ccccc2)c(OC)c1OC
InChIInChI=1S/C24H23N3O4S/c1-28-21-12-11-18(22(29-2)23(21)30-3)15-26-27-19(20-10-7-13-31-20)16-32-24(27)25-14-17-8-5-4-6-9-17/h4-13,15-16H,14H2,1-3H3/b25-24-,26-15?
InChIKeySCJJWEJHCVQLHA-PJVDOAQVSA-N
XLogP4.82
TPSA70.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
4-[[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 2436095
4-(furan-2-yl)-3-[(2-methoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23734286
N-benzyl-3-(butan-2-ylideneamino)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23876038
5-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 2366096
2-bromo-4-[[4-(furan-2-yl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135718881
4-[[2-benzylimino-4-(2,4-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135841026
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 135799678
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
5-ethoxy-2-[[2-ethylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838883
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2473772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 23878510) is N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is COc1ccc(C=Nn2c(-c3ccco3)cs/c2=N\Cc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is SCJJWEJHCVQLHA-PJVDOAQVSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-28-21-12-11-18(22(29-2)23(21)30-3)15-26-27-19(20-10-7-13-31-20)16-32-24(27)25-14-17-8-5-4-6-9-17/h4-13,15-16H,14H2,1-3H3/b25-24-,26-15?.
What are the key properties of N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 449.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23878510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).