4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

C23H24N4O2S — CID 135755880

IUPAC4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2S/c1-5-24-23-27(25-13-19-15(2)26-20-9-7-6-8-17(19)20)21(14-30-23)18-11-10-16(28-3)12-22(18)29-4/h6-14,26H,5H2,1-4H3/b24-23-,25-13?
InChIKeyJQYGWZQKTRWNLV-WTBSZUDJSA-N
MW420.54 g/mol
LogP4.83
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 135755880) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID135755880
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2S/c1-5-24-23-27(25-13-19-15(2)26-20-9-7-6-8-17(19)20)21(14-30-23)18-11-10-16(28-3)12-22(18)29-4/h6-14,26H,5H2,1-4H3/b24-23-,25-13?
InChIKeyJQYGWZQKTRWNLV-WTBSZUDJSA-N
XLogP4.83
TPSA63.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135769167
1-[[4-(2,5-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]naphthalen-2-ol
CID 135776075
2,6-dibromo-4-[[4-(2,4-dimethoxyphenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135581145
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 135765719
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
CID 135593082
4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135584364
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
(E)-4-[4-(difluoromethoxy)phenyl]-N-ethyl-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6905418
4-[[2-benzylimino-4-(2,4-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135841026
(Z)-N-ethyl-4-(2-fluorophenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 7974902

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (CID 135755880) is 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(OC)cc2OC)n1N=Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is JQYGWZQKTRWNLV-WTBSZUDJSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-24-23-27(25-13-19-15(2)26-20-9-7-6-8-17(19)20)21(14-30-23)18-11-10-16(28-3)12-22(18)29-4/h6-14,26H,5H2,1-4H3/b24-23-,25-13?.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 420.54 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-ethyl-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 135755880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).