N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine

C11H15N3S — CID 79048061

IUPACN-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESC#CCN1CCC(Nc2nccs2)CC1
InChIInChI=1S/C11H15N3S/c1-2-6-14-7-3-10(4-8-14)13-11-12-5-9-15-11/h1,5,9-10H,3-4,6-8H2,(H,12,13)
InChIKeyKBOPVLTZCYPSSS-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.65
Rot. Bonds3

About N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine

N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 79048061) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID79048061
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESC#CCN1CCC(Nc2nccs2)CC1
InChIInChI=1S/C11H15N3S/c1-2-6-14-7-3-10(4-8-14)13-11-12-5-9-15-11/h1,5,9-10H,3-4,6-8H2,(H,12,13)
InChIKeyKBOPVLTZCYPSSS-UHFFFAOYSA-N
XLogP1.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 79048061) is N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine is C#CCN1CCC(Nc2nccs2)CC1.
What is the InChIKey of N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KBOPVLTZCYPSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-6-14-7-3-10(4-8-14)13-11-12-5-9-15-11/h1,5,9-10H,3-4,6-8H2,(H,12,13).
What are the key properties of N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine?
N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-ynylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79048061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).