2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide

C14H21N3O3S — CID 146085800

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide
SMILESCc1cncc(NC(=O)C(C(C)C)N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)13(17-5-4-6-21(17,19)20)14(18)16-12-7-11(3)8-15-9-12/h7-10,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyHXHUBUCIGJJPJX-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.39
Rot. Bonds4

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide (PubChem CID 146085800) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide
PubChem CID146085800
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide
SMILESCc1cncc(NC(=O)C(C(C)C)N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)13(17-5-4-6-21(17,19)20)14(18)16-12-7-11(3)8-15-9-12/h7-10,13H,4-6H2,1-3H3,(H,16,18)
InChIKeyHXHUBUCIGJJPJX-UHFFFAOYSA-N
XLogP1.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide (CID 146085800) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide is Cc1cncc(NC(=O)C(C(C)C)N2CCCS2(=O)=O)c1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide?
The InChIKey is HXHUBUCIGJJPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)13(17-5-4-6-21(17,19)20)14(18)16-12-7-11(3)8-15-9-12/h7-10,13H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide has a molecular weight of 311.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 146085800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).