N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine

C15H25N3O2S — CID 166306701

IUPACN-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine
SMILESCC(CC(C)(C)C)Nc1ccc(N2CCCS2(=O)=O)cn1
InChIInChI=1S/C15H25N3O2S/c1-12(10-15(2,3)4)17-14-7-6-13(11-16-14)18-8-5-9-21(18,19)20/h6-7,11-12H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyOWTBFJCPPOPQHZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.86
Rot. Bonds4

About N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine

N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine (PubChem CID 166306701) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine
PubChem CID166306701
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine
SMILESCC(CC(C)(C)C)Nc1ccc(N2CCCS2(=O)=O)cn1
InChIInChI=1S/C15H25N3O2S/c1-12(10-15(2,3)4)17-14-7-6-13(11-16-14)18-8-5-9-21(18,19)20/h6-7,11-12H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyOWTBFJCPPOPQHZ-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine (CID 166306701) is N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine is CC(CC(C)(C)C)Nc1ccc(N2CCCS2(=O)=O)cn1.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine?
The InChIKey is OWTBFJCPPOPQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(10-15(2,3)4)17-14-7-6-13(11-16-14)18-8-5-9-21(18,19)20/h6-7,11-12H,5,8-10H2,1-4H3,(H,16,17).
What are the key properties of N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine?
N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 166306701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).