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

C19H19NO5S — CID 165412054

IUPAC(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2=CSC(c3ccccc3)N2O)cc(OC)c1OC
InChIInChI=1S/C19H19NO5S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21)14-11-26-19(20(14)22)12-7-5-4-6-8-12/h4-11,19,22H,1-3H3
InChIKeyPFRGUCUPAMDDKF-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.87
Rot. Bonds6

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

(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 165412054) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID165412054
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2=CSC(c3ccccc3)N2O)cc(OC)c1OC
InChIInChI=1S/C19H19NO5S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21)14-11-26-19(20(14)22)12-7-5-4-6-8-12/h4-11,19,22H,1-3H3
InChIKeyPFRGUCUPAMDDKF-UHFFFAOYSA-N
XLogP3.87
TPSA68.23 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 165412054) is (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2=CSC(c3ccccc3)N2O)cc(OC)c1OC.
What is the InChIKey of (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PFRGUCUPAMDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(21)14-11-26-19(20(14)22)12-7-5-4-6-8-12/h4-11,19,22H,1-3H3.
What are the key properties of (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 373.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 165412054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).