4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

C23H27N3O2S — CID 23768998

IUPAC4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(CC(C)=Nn2c(-c3ccc(OC)cc3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C23H27N3O2S/c1-16(2)24-23-26(22(15-29-23)19-8-12-21(28-5)13-9-19)25-17(3)14-18-6-10-20(27-4)11-7-18/h6-13,15-16H,14H2,1-5H3/b24-23-,25-17?
InChIKeyMXLYBMKTSYWCIA-FURJNMMNSA-N
MW409.56 g/mol
LogP5.01
Rot. Bonds7

About 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23768998) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23768998
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccc(CC(C)=Nn2c(-c3ccc(OC)cc3)cs/c2=N\C(C)C)cc1
InChIInChI=1S/C23H27N3O2S/c1-16(2)24-23-26(22(15-29-23)19-8-12-21(28-5)13-9-19)25-17(3)14-18-6-10-20(27-4)11-7-18/h6-13,15-16H,14H2,1-5H3/b24-23-,25-17?
InChIKeyMXLYBMKTSYWCIA-FURJNMMNSA-N
XLogP5.01
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.01
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-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23764740
4-[[4-(4-methoxyphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135710039
N-ethyl-4-(6-methoxynaphthalen-2-yl)-3-(4-methylpentan-2-ylideneamino)-1,3-thiazol-2-imine
CID 23736140
4-(2,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23767611
6-[3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23934414
3-[1-(furan-2-yl)ethylideneamino]-4-(4-methylphenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23908285
2-[N-[4-(2-bromophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135768800
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23967743
2-[N-[4-(4-bromophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135554108
2-bromo-6-methoxy-4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838830
N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 4014518
[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
CID 69115337

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (CID 23768998) is 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is COc1ccc(CC(C)=Nn2c(-c3ccc(OC)cc3)cs/c2=N\C(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is MXLYBMKTSYWCIA-FURJNMMNSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16(2)24-23-26(22(15-29-23)19-8-12-21(28-5)13-9-19)25-17(3)14-18-6-10-20(27-4)11-7-18/h6-13,15-16H,14H2,1-5H3/b24-23-,25-17?.
What are the key properties of 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 409.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23768998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).