2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C16H19N3O3S — CID 71704480

IUPAC2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cn(CC(=O)Nc2nc3c(s2)CCCC3)c(C)cc1=O
InChIInChI=1S/C16H19N3O3S/c1-10-7-12(20)13(22-2)8-19(10)9-15(21)18-16-17-11-5-3-4-6-14(11)23-16/h7-8H,3-6,9H2,1-2H3,(H,17,18,21)
InChIKeyFXKLUGPQZSUSSV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.14
Rot. Bonds4

About 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71704480) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71704480
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cn(CC(=O)Nc2nc3c(s2)CCCC3)c(C)cc1=O
InChIInChI=1S/C16H19N3O3S/c1-10-7-12(20)13(22-2)8-19(10)9-15(21)18-16-17-11-5-3-4-6-14(11)23-16/h7-8H,3-6,9H2,1-2H3,(H,17,18,21)
InChIKeyFXKLUGPQZSUSSV-UHFFFAOYSA-N
XLogP2.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71704480) is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is COc1cn(CC(=O)Nc2nc3c(s2)CCCC3)c(C)cc1=O.
What is the InChIKey of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FXKLUGPQZSUSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-7-12(20)13(22-2)8-19(10)9-15(21)18-16-17-11-5-3-4-6-14(11)23-16/h7-8H,3-6,9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71704480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).