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

C15H17NO3S — CID 69374326

IUPACethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate
SMILESCCOC(=O)Oc1nc(Cc2cccc(C)c2)sc1C
InChIInChI=1S/C15H17NO3S/c1-4-18-15(17)19-14-11(3)20-13(16-14)9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3
InChIKeyGZVTYEPENRUIDM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.89
Rot. Bonds4

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

ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate (PubChem CID 69374326) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate
PubChem CID69374326
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate
SMILESCCOC(=O)Oc1nc(Cc2cccc(C)c2)sc1C
InChIInChI=1S/C15H17NO3S/c1-4-18-15(17)19-14-11(3)20-13(16-14)9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3
InChIKeyGZVTYEPENRUIDM-UHFFFAOYSA-N
XLogP3.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate?
The IUPAC name of ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate (CID 69374326) is ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate.
What is the SMILES notation for ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate?
The canonical SMILES for ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate is CCOC(=O)Oc1nc(Cc2cccc(C)c2)sc1C.
What is the InChIKey of ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate?
The InChIKey is GZVTYEPENRUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-18-15(17)19-14-11(3)20-13(16-14)9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate?
ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate has a molecular weight of 291.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate is sourced from PubChem (CID 69374326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).