(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone

C19H19NO2S — CID 2137736

IUPAC(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2sc3nc(C)cc(C)c3c2O)c(C)c1
InChIInChI=1S/C19H19NO2S/c1-9-6-10(2)14(11(3)7-9)16(21)18-17(22)15-12(4)8-13(5)20-19(15)23-18/h6-8,22H,1-5H3
InChIKeyHWXVAPYBFNXYMM-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.78
Rot. Bonds2

About (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone

(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 2137736) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID2137736
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2sc3nc(C)cc(C)c3c2O)c(C)c1
InChIInChI=1S/C19H19NO2S/c1-9-6-10(2)14(11(3)7-9)16(21)18-17(22)15-12(4)8-13(5)20-19(15)23-18/h6-8,22H,1-5H3
InChIKeyHWXVAPYBFNXYMM-UHFFFAOYSA-N
XLogP4.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone (CID 2137736) is (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2sc3nc(C)cc(C)c3c2O)c(C)c1.
What is the InChIKey of (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is HWXVAPYBFNXYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-9-6-10(2)14(11(3)7-9)16(21)18-17(22)15-12(4)8-13(5)20-19(15)23-18/h6-8,22H,1-5H3.
What are the key properties of (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone?
(3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 325.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 2137736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).