4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine

C11H19N3S — CID 25323517

IUPAC4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESC[C@@H]1C[C@H](C)CN(Cc2csc(N)n2)C1
InChIInChI=1S/C11H19N3S/c1-8-3-9(2)5-14(4-8)6-10-7-15-11(12)13-10/h7-9H,3-6H2,1-2H3,(H2,12,13)/t8-,9+
InChIKeyWUDMQZVMBPZAHB-DTORHVGOSA-N
MW225.36 g/mol
LogP2.20
Rot. Bonds2

About 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine

4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 25323517) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID25323517
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESC[C@@H]1C[C@H](C)CN(Cc2csc(N)n2)C1
InChIInChI=1S/C11H19N3S/c1-8-3-9(2)5-14(4-8)6-10-7-15-11(12)13-10/h7-9H,3-6H2,1-2H3,(H2,12,13)/t8-,9+
InChIKeyWUDMQZVMBPZAHB-DTORHVGOSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 25323517) is 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine is C[C@@H]1C[C@H](C)CN(Cc2csc(N)n2)C1.
What is the InChIKey of 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WUDMQZVMBPZAHB-DTORHVGOSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-3-9(2)5-14(4-8)6-10-7-15-11(12)13-10/h7-9H,3-6H2,1-2H3,(H2,12,13)/t8-,9+.
What are the key properties of 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25323517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).