3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

C23H26N2OS — CID 18812844

IUPAC3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H26N2OS/c1-17-8-10-18(11-9-17)22-16-27-23(25(22)20-6-4-3-5-7-20)24-19-12-14-21(26-2)15-13-19/h8-16,20H,3-7H2,1-2H3/b24-23-
InChIKeyRDKFMAZZQNDKMZ-VHXPQNKSSA-N
MW378.54 g/mol
LogP6.27
Rot. Bonds4

About 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine

3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 18812844) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID18812844
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H26N2OS/c1-17-8-10-18(11-9-17)22-16-27-23(25(22)20-6-4-3-5-7-20)24-19-12-14-21(26-2)15-13-19/h8-16,20H,3-7H2,1-2H3/b24-23-
InChIKeyRDKFMAZZQNDKMZ-VHXPQNKSSA-N
XLogP6.27
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23906653
3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23937531
3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23879852
3-cyclopentyl-N-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23883477
3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975
3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23994989
N-[(E)-[3-cyclohexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-3-phenylquinoxalin-2-amine
CID 10649294
3-cyclooctyl-N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23996195
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
6-[3-cyclopentyl-2-(3-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23940913

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 18812844) is 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RDKFMAZZQNDKMZ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-17-8-10-18(11-9-17)22-16-27-23(25(22)20-6-4-3-5-7-20)24-19-12-14-21(26-2)15-13-19/h8-16,20H,3-7H2,1-2H3/b24-23-.
What are the key properties of 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine?
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 378.54 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18812844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).