3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine

C21H24N2S — CID 18813263

IUPAC3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C21H24N2S/c1-15-6-10-17(11-7-15)19-14-24-20(23(19)21(3,4)5)22-18-12-8-16(2)9-13-18/h6-14H,1-5H3/b22-20-
InChIKeyKJAIBURQGODITG-XDOYNYLZSA-N
MW336.50 g/mol
LogP5.82
Rot. Bonds2

About 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine

3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 18813263) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID18813263
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC Name3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C(C)(C)C)cc1
InChIInChI=1S/C21H24N2S/c1-15-6-10-17(11-7-15)19-14-24-20(23(19)21(3,4)5)22-18-12-8-16(2)9-13-18/h6-14H,1-5H3/b22-20-
InChIKeyKJAIBURQGODITG-XDOYNYLZSA-N
XLogP5.82
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18813030
3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 3744406
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
4-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-3-tert-butyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813274
3-cyclopropyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 23765123
4-[4-(azepan-1-ylsulfonyl)phenyl]-3-tert-butyl-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18812808
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine;hydrobromide
CID 2886991
3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23879852
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine (CID 18813263) is 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C(C)(C)C)cc1.
What is the InChIKey of 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is KJAIBURQGODITG-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H24N2S/c1-15-6-10-17(11-7-15)19-14-24-20(23(19)21(3,4)5)22-18-12-8-16(2)9-13-18/h6-14H,1-5H3/b22-20-.
What are the key properties of 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine?
3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 336.50 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18813263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).