1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine

C9H15N3S — CID 82398619

IUPAC1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine
SMILESCN1CC(N)CC(c2cncs2)C1
InChIInChI=1S/C9H15N3S/c1-12-4-7(2-8(10)5-12)9-3-11-6-13-9/h3,6-8H,2,4-5,10H2,1H3
InChIKeyGJUIXZQFKIHDJP-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.89
Rot. Bonds1

About 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine

1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine (PubChem CID 82398619) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine
PubChem CID82398619
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine
SMILESCN1CC(N)CC(c2cncs2)C1
InChIInChI=1S/C9H15N3S/c1-12-4-7(2-8(10)5-12)9-3-11-6-13-9/h3,6-8H,2,4-5,10H2,1H3
InChIKeyGJUIXZQFKIHDJP-UHFFFAOYSA-N
XLogP0.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine (CID 82398619) is 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine is CN1CC(N)CC(c2cncs2)C1.
What is the InChIKey of 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine?
The InChIKey is GJUIXZQFKIHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-4-7(2-8(10)5-12)9-3-11-6-13-9/h3,6-8H,2,4-5,10H2,1H3.
What are the key properties of 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine?
1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine has a molecular weight of 197.31 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,3-thiazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 82398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).