2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C16H19N3O2S — CID 8718769

IUPAC2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(s2)CN(C)CC3)cc1
InChIInChI=1S/C16H19N3O2S/c1-19-8-7-13-14(10-19)22-16(17-13)18-15(20)9-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18,20)
InChIKeyLLGHGWVQDJDLSX-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 8718769) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID8718769
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(s2)CN(C)CC3)cc1
InChIInChI=1S/C16H19N3O2S/c1-19-8-7-13-14(10-19)22-16(17-13)18-15(20)9-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18,20)
InChIKeyLLGHGWVQDJDLSX-UHFFFAOYSA-N
XLogP2.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 8718769) is 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is COc1ccc(CC(=O)Nc2nc3c(s2)CN(C)CC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is LLGHGWVQDJDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-19-8-7-13-14(10-19)22-16(17-13)18-15(20)9-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 8718769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).