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

C19H19NO5S — CID 136601674

IUPAC5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)c(O)c1
InChIInChI=1S/C19H19NO5S/c1-22-12-5-6-13(15(21)9-12)14-10-18(26-20-14)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,21H,1-4H3
InChIKeyNCHWVKLZEFESEG-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.22
Rot. Bonds6

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

5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol (PubChem CID 136601674) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
PubChem CID136601674
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)c(O)c1
InChIInChI=1S/C19H19NO5S/c1-22-12-5-6-13(15(21)9-12)14-10-18(26-20-14)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,21H,1-4H3
InChIKeyNCHWVKLZEFESEG-UHFFFAOYSA-N
XLogP4.22
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol (CID 136601674) is 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol?
The InChIKey is NCHWVKLZEFESEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-22-12-5-6-13(15(21)9-12)14-10-18(26-20-14)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,21H,1-4H3.
What are the key properties of 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol?
5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol has a molecular weight of 373.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol is sourced from PubChem (CID 136601674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).