methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate

C23H18N2O2S — CID 2330322

IUPACmethyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H18N2O2S/c1-27-22(26)20-21(17-11-5-2-6-12-17)28-23(24-18-13-7-3-8-14-18)25(20)19-15-9-4-10-16-19/h2-16H,1H3/b24-23-
InChIKeyJQJNTKYPGRCCMT-VHXPQNKSSA-N
MW386.48 g/mol
LogP5.22
Rot. Bonds4

About methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate

methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate (PubChem CID 2330322) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate
PubChem CID2330322
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Namemethyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H18N2O2S/c1-27-22(26)20-21(17-11-5-2-6-12-17)28-23(24-18-13-7-3-8-14-18)25(20)19-15-9-4-10-16-19/h2-16H,1H3/b24-23-
InChIKeyJQJNTKYPGRCCMT-VHXPQNKSSA-N
XLogP5.22
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate (CID 2330322) is methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)s/c(=N\c2ccccc2)n1-c1ccccc1.
What is the InChIKey of methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate?
The InChIKey is JQJNTKYPGRCCMT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-22(26)20-21(17-11-5-2-6-12-17)28-23(24-18-13-7-3-8-14-18)25(20)19-15-9-4-10-16-19/h2-16H,1H3/b24-23-.
What are the key properties of methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate?
methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate has a molecular weight of 386.48 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diphenyl-2-phenylimino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2330322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).