N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine

C24H28N2OS — CID 2435615

IUPACN-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3c(C)cc(C)cc3C)n2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H28N2OS/c1-16-7-9-20(10-8-16)25-24-26(14-21-6-5-11-27-21)22(15-28-24)23-18(3)12-17(2)13-19(23)4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3/b25-24-/t21-/m0/s1
InChIKeyWLGLEEPXKCJKGJ-VHAJSEAWSA-N
MW392.57 g/mol
LogP5.86
Rot. Bonds4

About N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine

N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 2435615) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
PubChem CID2435615
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC NameN-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3c(C)cc(C)cc3C)n2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C24H28N2OS/c1-16-7-9-20(10-8-16)25-24-26(14-21-6-5-11-27-21)22(15-28-24)23-18(3)12-17(2)13-19(23)4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3/b25-24-/t21-/m0/s1
InChIKeyWLGLEEPXKCJKGJ-VHAJSEAWSA-N
XLogP5.86
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.86
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

N-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813116
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7720864
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 3432436
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23875611
1-[4-[[4-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]amino]phenyl]ethanone
CID 2452538
4-(1-benzofuran-2-yl)-N-(4-ethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 2454032
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
N,N-dimethyl-4-[3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 27350353
N,N-dimethyl-4-[3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5245119
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine (CID 2435615) is N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3c(C)cc(C)cc3C)n2C[C@@H]2CCCO2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is WLGLEEPXKCJKGJ-VHAJSEAWSA-N. The full InChI is InChI=1S/C24H28N2OS/c1-16-7-9-20(10-8-16)25-24-26(14-21-6-5-11-27-21)22(15-28-24)23-18(3)12-17(2)13-19(23)4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3/b25-24-/t21-/m0/s1.
What are the key properties of N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine?
N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 392.57 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2435615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).