2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine

C13H22N2OS — CID 62542108

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)(NCCOC)c1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2OS/c1-4-13(2,14-8-9-16-3)12-15-10-6-5-7-11(10)17-12/h14H,4-9H2,1-3H3
InChIKeyPLXPFESMVTZHIT-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.49
Rot. Bonds6

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine (PubChem CID 62542108) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
PubChem CID62542108
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)(NCCOC)c1nc2c(s1)CCC2
InChIInChI=1S/C13H22N2OS/c1-4-13(2,14-8-9-16-3)12-15-10-6-5-7-11(10)17-12/h14H,4-9H2,1-3H3
InChIKeyPLXPFESMVTZHIT-UHFFFAOYSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-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 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine (CID 62542108) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine is CCC(C)(NCCOC)c1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is PLXPFESMVTZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-13(2,14-8-9-16-3)12-15-10-6-5-7-11(10)17-12/h14H,4-9H2,1-3H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 62542108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).