5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C10H17N3S — CID 79771816

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12)
InChIKeyAQUKAKAALVNKED-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.96
Rot. Bonds2

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

5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79771816) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79771816
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12)
InChIKeyAQUKAKAALVNKED-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 79771816) is 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is CC1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AQUKAKAALVNKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-2-4-13(5-3-8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3,(H2,11,12).
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).