methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate

C21H22N2O2S — CID 25060227

IUPACmethyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)c1ncc(-c2ccc(C)cc2)s1
InChIInChI=1S/C21H22N2O2S/c1-4-23(14-16-7-11-18(12-8-16)20(24)25-3)21-22-13-19(26-21)17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3
InChIKeySLYSLZMKJWYMAX-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.93
Rot. Bonds6

About methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate

methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate (PubChem CID 25060227) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate
PubChem CID25060227
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Namemethyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate
SMILESCCN(Cc1ccc(C(=O)OC)cc1)c1ncc(-c2ccc(C)cc2)s1
InChIInChI=1S/C21H22N2O2S/c1-4-23(14-16-7-11-18(12-8-16)20(24)25-3)21-22-13-19(26-21)17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3
InChIKeySLYSLZMKJWYMAX-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate (CID 25060227) is methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate is CCN(Cc1ccc(C(=O)OC)cc1)c1ncc(-c2ccc(C)cc2)s1.
What is the InChIKey of methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate?
The InChIKey is SLYSLZMKJWYMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-23(14-16-7-11-18(12-8-16)20(24)25-3)21-22-13-19(26-21)17-9-5-15(2)6-10-17/h5-13H,4,14H2,1-3H3.
What are the key properties of methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate?
methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate has a molecular weight of 366.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoate is sourced from PubChem (CID 25060227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).