5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine

C8H11N3S — CID 165451589

IUPAC5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1C=C(c2cnsc2)CNC1
InChIInChI=1S/C8H11N3S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4,9H2
InChIKeyHNEBEOFJGLSPGL-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.46
Rot. Bonds1

About 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine

5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165451589) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165451589
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1C=C(c2cnsc2)CNC1
InChIInChI=1S/C8H11N3S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4,9H2
InChIKeyHNEBEOFJGLSPGL-UHFFFAOYSA-N
XLogP0.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine (CID 165451589) is 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine is NC1C=C(c2cnsc2)CNC1.
What is the InChIKey of 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is HNEBEOFJGLSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4,9H2.
What are the key properties of 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine?
5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 181.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165451589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).