methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

C13H15NO3S — CID 158631456

IUPACmethyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(c2cccc(C)c2OC)=N1
InChIInChI=1S/C13H15NO3S/c1-8-5-4-6-9(11(8)16-2)12-14-10(7-18-12)13(15)17-3/h4-6,10H,7H2,1-3H3/t10-/m0/s1
InChIKeyUJDQISRXUDNPAW-JTQLQIEISA-N
MW265.33 g/mol
LogP2.04
Rot. Bonds3

About methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate

methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 158631456) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID158631456
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Namemethyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(c2cccc(C)c2OC)=N1
InChIInChI=1S/C13H15NO3S/c1-8-5-4-6-9(11(8)16-2)12-14-10(7-18-12)13(15)17-3/h4-6,10H,7H2,1-3H3/t10-/m0/s1
InChIKeyUJDQISRXUDNPAW-JTQLQIEISA-N
XLogP2.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4R)-2-[6-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 71739752
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
methyl (4S)-2-[4-(4-aminophenyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 102226256
methyl (4S)-2-[3-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 144849599
methyl (4S)-2-(4-but-3-enoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11098286
N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 64974725
2-[2-hydroxy-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 143928032
2-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374375
2-(2-bromo-3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374386
methyl 2-(1-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 105443216
1-[6-cyclopropyl-5-(2-methoxy-3-methylphenyl)-2-pyridinyl]ethanone
CID 167485939
(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135967469

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 158631456) is methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is COC(=O)[C@@H]1CSC(c2cccc(C)c2OC)=N1.
What is the InChIKey of methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is UJDQISRXUDNPAW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO3S/c1-8-5-4-6-9(11(8)16-2)12-14-10(7-18-12)13(15)17-3/h4-6,10H,7H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate?
methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(2-methoxy-3-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 158631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).