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

C20H19NO5S — CID 52946822

IUPAC[5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nccs2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H19NO5S/c1-23-13-5-6-14(20-21-7-8-27-20)15(11-13)18(22)12-9-16(24-2)19(26-4)17(10-12)25-3/h5-11H,1-4H3
InChIKeyPKRIQTUCLBARHO-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.08
Rot. Bonds7

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

[5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52946822) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52946822
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name[5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nccs2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H19NO5S/c1-23-13-5-6-14(20-21-7-8-27-20)15(11-13)18(22)12-9-16(24-2)19(26-4)17(10-12)25-3/h5-11H,1-4H3
InChIKeyPKRIQTUCLBARHO-UHFFFAOYSA-N
XLogP4.08
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 52946822) is [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2nccs2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PKRIQTUCLBARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-23-13-5-6-14(20-21-7-8-27-20)15(11-13)18(22)12-9-16(24-2)19(26-4)17(10-12)25-3/h5-11H,1-4H3.
What are the key properties of [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52946822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).