1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

C13H24N4S — CID 68775621

IUPAC1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESCC(CCN)N1CCC(NCc2cscn2)CC1
InChIInChI=1S/C13H24N4S/c1-11(2-5-14)17-6-3-12(4-7-17)15-8-13-9-18-10-16-13/h9-12,15H,2-8,14H2,1H3
InChIKeyDAOTYCQBRVEBBF-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.43
Rot. Bonds6

About 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 68775621) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID68775621
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESCC(CCN)N1CCC(NCc2cscn2)CC1
InChIInChI=1S/C13H24N4S/c1-11(2-5-14)17-6-3-12(4-7-17)15-8-13-9-18-10-16-13/h9-12,15H,2-8,14H2,1H3
InChIKeyDAOTYCQBRVEBBF-UHFFFAOYSA-N
XLogP1.43
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-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 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (CID 68775621) is 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is CC(CCN)N1CCC(NCc2cscn2)CC1.
What is the InChIKey of 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is DAOTYCQBRVEBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-11(2-5-14)17-6-3-12(4-7-17)15-8-13-9-18-10-16-13/h9-12,15H,2-8,14H2,1H3.
What are the key properties of 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 268.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 68775621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).