[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H19NO4S — CID 25258609

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4S/c1-12-5-7-13(8-6-12)20-21-15(11-26-20)18(22)14-9-16(23-2)19(25-4)17(10-14)24-3/h5-11H,1-4H3
InChIKeyROYIPIXFQBIZPN-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.38
Rot. Bonds6

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25258609) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25258609
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4S/c1-12-5-7-13(8-6-12)20-21-15(11-26-20)18(22)14-9-16(23-2)19(25-4)17(10-14)24-3/h5-11H,1-4H3
InChIKeyROYIPIXFQBIZPN-UHFFFAOYSA-N
XLogP4.38
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25258609) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ROYIPIXFQBIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-12-5-7-13(8-6-12)20-21-15(11-26-20)18(22)14-9-16(23-2)19(25-4)17(10-14)24-3/h5-11H,1-4H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25258609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).