2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole

C20H21NO2S — CID 175854757

IUPAC2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole
SMILESCc1nc(COCc2ccccc2)c(COCc2ccccc2)s1
InChIInChI=1S/C20H21NO2S/c1-16-21-19(14-22-12-17-8-4-2-5-9-17)20(24-16)15-23-13-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyPJMSVLWJKVLXQS-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.89
Rot. Bonds8

About 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole

2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole (PubChem CID 175854757) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole
PubChem CID175854757
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole
SMILESCc1nc(COCc2ccccc2)c(COCc2ccccc2)s1
InChIInChI=1S/C20H21NO2S/c1-16-21-19(14-22-12-17-8-4-2-5-9-17)20(24-16)15-23-13-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyPJMSVLWJKVLXQS-UHFFFAOYSA-N
XLogP4.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4,5-bis(phenylmethoxymethyl)-1,3-thiazol-2-yl]propanoate
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3-methyl-2-(phenylmethoxymethyl)pyridin-4-amine
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2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
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5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
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1-ethyl-4-(phenylmethoxymethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole (CID 175854757) is 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole is Cc1nc(COCc2ccccc2)c(COCc2ccccc2)s1.
What is the InChIKey of 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole?
The InChIKey is PJMSVLWJKVLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16-21-19(14-22-12-17-8-4-2-5-9-17)20(24-16)15-23-13-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole?
2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole has a molecular weight of 339.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis(phenylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 175854757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).