3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

C21H23N3OS — CID 3335144

IUPAC3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(C)c(C)cc2C)n1N=Cc1ccc(OC)cc1
InChIInChI=1S/C21H23N3OS/c1-14-10-16(3)19(11-15(14)2)20-13-26-21(22-4)24(20)23-12-17-6-8-18(25-5)9-7-17/h6-13H,1-5H3/b22-21-,23-12?
InChIKeyRCLAJKIJVACSSQ-XTWJKVAUSA-N
MW365.50 g/mol
LogP4.56
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 3335144) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
PubChem CID3335144
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(C)c(C)cc2C)n1N=Cc1ccc(OC)cc1
InChIInChI=1S/C21H23N3OS/c1-14-10-16(3)19(11-15(14)2)20-13-26-21(22-4)24(20)23-12-17-6-8-18(25-5)9-7-17/h6-13H,1-5H3/b22-21-,23-12?
InChIKeyRCLAJKIJVACSSQ-XTWJKVAUSA-N
XLogP4.56
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (CID 3335144) is 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(C)c(C)cc2C)n1N=Cc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RCLAJKIJVACSSQ-XTWJKVAUSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-10-16(3)19(11-15(14)2)20-13-26-21(22-4)24(20)23-12-17-6-8-18(25-5)9-7-17/h6-13H,1-5H3/b22-21-,23-12?.
What are the key properties of 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 365.50 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3335144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).