2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C24H34Cl2N6S — CID 155387407

IUPAC2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCCC(C)(N)C3)nn12
InChIInChI=1S/C24H34Cl2N6S/c1-22(2,3)13-23(4,5)29-19-18(15-9-7-10-16(25)17(15)26)28-20-32(19)30-21(33-20)31-12-8-11-24(6,27)14-31/h7,9-10,29H,8,11-14,27H2,1-6H3
InChIKeyYRPPRYSOXCQTEK-UHFFFAOYSA-N
MW509.55 g/mol
LogP6.71
Rot. Bonds5

About 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 155387407) has the molecular formula C24H34Cl2N6S and a molecular weight of 509.55 g/mol. Its IUPAC name is 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID155387407
Molecular FormulaC24H34Cl2N6S
Molecular Weight509.55 g/mol
Exact Mass508.19
IUPAC Name2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCCC(C)(N)C3)nn12
InChIInChI=1S/C24H34Cl2N6S/c1-22(2,3)13-23(4,5)29-19-18(15-9-7-10-16(25)17(15)26)28-20-32(19)30-21(33-20)31-12-8-11-24(6,27)14-31/h7,9-10,29H,8,11-14,27H2,1-6H3
InChIKeyYRPPRYSOXCQTEK-UHFFFAOYSA-N
XLogP6.71
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.55
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-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 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 155387407) is 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)(C)CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sc(N3CCCC(C)(N)C3)nn12.
What is the InChIKey of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is YRPPRYSOXCQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Cl2N6S/c1-22(2,3)13-23(4,5)29-19-18(15-9-7-10-16(25)17(15)26)28-20-32(19)30-21(33-20)31-12-8-11-24(6,27)14-31/h7,9-10,29H,8,11-14,27H2,1-6H3.
What are the key properties of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 509.55 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 155387407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).