4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

C17H23N3O3S — CID 23989298

IUPAC4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cc(OC)c(OC)cc1C=Nn1c(C)cs/c1=N\C(C)C
InChIInChI=1S/C17H23N3O3S/c1-11(2)19-17-20(12(3)10-24-17)18-9-13-7-15(22-5)16(23-6)8-14(13)21-4/h7-11H,1-6H3/b18-9?,19-17-
InChIKeyAMRBVZYXTSXZMH-YGGCKMLOSA-N
MW349.46 g/mol
LogP3.08
Rot. Bonds6

About 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine

4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23989298) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23989298
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cc(OC)c(OC)cc1C=Nn1c(C)cs/c1=N\C(C)C
InChIInChI=1S/C17H23N3O3S/c1-11(2)19-17-20(12(3)10-24-17)18-9-13-7-15(22-5)16(23-6)8-14(13)21-4/h7-11H,1-6H3/b18-9?,19-17-
InChIKeyAMRBVZYXTSXZMH-YGGCKMLOSA-N
XLogP3.08
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-methyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135845894
4-(3,4-dimethylphenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852251
3-[(2-iodophenyl)methylideneamino]-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23878396
4-(4-chlorophenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 4314416
2-bromo-6-methoxy-4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838830
4-[[4-(2,4-dimethoxyphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135709941
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
CID 135593082
2-bromo-4-[[4-(2-bromophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135556508
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
4-[4-(difluoromethoxy)phenyl]-N-prop-2-enyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2436403
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 7027183
4-[[4-(4-methoxyphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135710039

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 23989298) is 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is COc1cc(OC)c(OC)cc1C=Nn1c(C)cs/c1=N\C(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is AMRBVZYXTSXZMH-YGGCKMLOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11(2)19-17-20(12(3)10-24-17)18-9-13-7-15(22-5)16(23-6)8-14(13)21-4/h7-11H,1-6H3/b18-9?,19-17-.
What are the key properties of 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine?
4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 349.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23989298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).