(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C19H17NO3S — CID 16578998

IUPAC(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(COC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17NO3S/c1-13-17(24-18(20-13)15-6-4-3-5-7-15)19(21)23-12-14-8-10-16(22-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyLUFGECRCKNPRCY-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.48
Rot. Bonds5

About (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 16578998) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID16578998
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(COC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C19H17NO3S/c1-13-17(24-18(20-13)15-6-4-3-5-7-15)19(21)23-12-14-8-10-16(22-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyLUFGECRCKNPRCY-UHFFFAOYSA-N
XLogP4.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18147558
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824747
2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660295
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724414
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 43021630
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824741
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980611
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 16578998) is (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is COc1ccc(COC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is LUFGECRCKNPRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-17(24-18(20-13)15-6-4-3-5-7-15)19(21)23-12-14-8-10-16(22-2)11-9-14/h3-11H,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16578998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).