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

C19H17NO4S — CID 8542842

IUPAC(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H17NO4S/c1-22-15-8-9-17(23-2)14(10-15)11-24-19(21)16-12-25-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyJBNMOFITUCCFHE-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.18
Rot. Bonds6

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

(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 8542842) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID8542842
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H17NO4S/c1-22-15-8-9-17(23-2)14(10-15)11-24-19(21)16-12-25-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyJBNMOFITUCCFHE-UHFFFAOYSA-N
XLogP4.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135231
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46611627
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824573
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16541990
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate (CID 8542842) is (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate is COc1ccc(OC)c(COC(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is JBNMOFITUCCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-22-15-8-9-17(23-2)14(10-15)11-24-19(21)16-12-25-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate?
(2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8542842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).