2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide

C18H19N3O2S — CID 6623010

IUPAC2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NC(C)c3ccccc3)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-11-9-12(2)19-17-16(11)18(23)21(24-17)10-15(22)20-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,20,22)
InChIKeyRCVHNCAKCFNAJR-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.95
Rot. Bonds4

About 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide

2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 6623010) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID6623010
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NC(C)c3ccccc3)sc2n1
InChIInChI=1S/C18H19N3O2S/c1-11-9-12(2)19-17-16(11)18(23)21(24-17)10-15(22)20-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,20,22)
InChIKeyRCVHNCAKCFNAJR-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide (CID 6623010) is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)NC(C)c3ccccc3)sc2n1.
What is the InChIKey of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is RCVHNCAKCFNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-9-12(2)19-17-16(11)18(23)21(24-17)10-15(22)20-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide?
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6623010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).