4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine

C13H23N3S — CID 65169595

IUPAC4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCN2CCC(C)CC2)sc1C
InChIInChI=1S/C13H23N3S/c1-10-4-7-16(8-5-10)9-6-14-13-15-11(2)12(3)17-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyPARAXWUONOQENL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.90
Rot. Bonds4

About 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65169595) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65169595
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCN2CCC(C)CC2)sc1C
InChIInChI=1S/C13H23N3S/c1-10-4-7-16(8-5-10)9-6-14-13-15-11(2)12(3)17-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyPARAXWUONOQENL-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-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 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 65169595) is 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NCCN2CCC(C)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is PARAXWUONOQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-4-7-16(8-5-10)9-6-14-13-15-11(2)12(3)17-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65169595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).