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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Related Compounds

5-(chloromethyl)-4-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazole
CID 59823745
ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140
2-[(3-methylphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975201
5,5-dimethyl-2-[(3-methylphenyl)methyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62090802
3-iodo-5-[(3-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102943686
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
3-[(5-methyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 65345737
4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
CID 82169566
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
ethyl 4,5-dimethyl-2-[(3-methylphenyl)methylamino]thiophene-3-carboxylate
CID 110827408
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230

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).