3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

C21H22N2S — CID 23879852

IUPAC3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2C2CC2)cc1
InChIInChI=1S/C21H22N2S/c1-14-4-6-17(7-5-14)20-13-24-21(23(20)19-8-9-19)22-18-11-15(2)10-16(3)12-18/h4-7,10-13,19H,8-9H2,1-3H3/b22-21-
InChIKeyPVSHGSJWXPDJLI-DQRAZIAOSA-N
MW334.49 g/mol
LogP5.71
Rot. Bonds3

About 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 23879852) has the molecular formula C21H22N2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID23879852
Molecular FormulaC21H22N2S
Molecular Weight334.49 g/mol
Exact Mass334.15
IUPAC Name3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2C2CC2)cc1
InChIInChI=1S/C21H22N2S/c1-14-4-6-17(7-5-14)20-13-24-21(23(20)19-8-9-19)22-18-11-15(2)10-16(3)12-18/h4-7,10-13,19H,8-9H2,1-3H3/b22-21-
InChIKeyPVSHGSJWXPDJLI-DQRAZIAOSA-N
XLogP5.71
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 23765123
3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23994989
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18812844
3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23963290
3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23937531
3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine
CID 23961064
3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 23882825
3-cyclooctyl-N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23996195
3-tert-butyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813263
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
5-[3-cyclopropyl-2-(4-ethoxyphenyl)imino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 16555630
3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 23879852) is 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\c3cc(C)cc(C)c3)n2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is PVSHGSJWXPDJLI-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H22N2S/c1-14-4-6-17(7-5-14)20-13-24-21(23(20)19-8-9-19)22-18-11-15(2)10-16(3)12-18/h4-7,10-13,19H,8-9H2,1-3H3/b22-21-.
What are the key properties of 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 334.49 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).