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

C19H17NO5S — CID 66987669

IUPAC[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3nccs3)cc2O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-5-4-11(8-14(13)21)19-20-6-7-26-19/h4-10,21H,1-3H3
InChIKeyADNOGSRXMXPQIZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.77
Rot. Bonds6

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

[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66987669) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID66987669
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3nccs3)cc2O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-5-4-11(8-14(13)21)19-20-6-7-26-19/h4-10,21H,1-3H3
InChIKeyADNOGSRXMXPQIZ-UHFFFAOYSA-N
XLogP3.77
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)benzoic acid
CID 66987615
methoxymethyl 4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)benzoate
CID 66987663
N-[4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]methanesulfonamide
CID 25067022
[5-(1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929432
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
[[4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 174698033
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155560958
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 9114839
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 66987669) is [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(-c3nccs3)cc2O)cc(OC)c1OC.
What is the InChIKey of [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ADNOGSRXMXPQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)13-5-4-11(8-14(13)21)19-20-6-7-26-19/h4-10,21H,1-3H3.
What are the key properties of [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 371.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).