3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine

C20H18N4S — CID 139219009

IUPAC3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine
SMILESCc1cc(/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)n[nH]1
InChIInChI=1S/C20H18N4S/c1-15-12-19(23-22-15)21-20-24(13-16-8-4-2-5-9-16)18(14-25-20)17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,22,23)/b21-20-
InChIKeySLHBHRLEAVGWPK-MRCUWXFGSA-N
MW346.46 g/mol
LogP4.53
Rot. Bonds4

About 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine

3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 139219009) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID139219009
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine
SMILESCc1cc(/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)n[nH]1
InChIInChI=1S/C20H18N4S/c1-15-12-19(23-22-15)21-20-24(13-16-8-4-2-5-9-16)18(14-25-20)17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,22,23)/b21-20-
InChIKeySLHBHRLEAVGWPK-MRCUWXFGSA-N
XLogP4.53
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
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-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 139219010
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-benzyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 90484760
3-benzyl-4-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5173605
4-(3-benzyl-2-phenylimino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 23833554
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 4127250
3-benzyl-4-phenyl-1,3-thiazole-2-thione
CID 4601338
N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392959
3-benzyl-4-methyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45125354
3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 584019

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine (CID 139219009) is 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine is Cc1cc(/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)n[nH]1.
What is the InChIKey of 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is SLHBHRLEAVGWPK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H18N4S/c1-15-12-19(23-22-15)21-20-24(13-16-8-4-2-5-9-16)18(14-25-20)17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,22,23)/b21-20-.
What are the key properties of 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine?
3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 346.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 139219009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).