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

C8H10N2S — CID 139343328

IUPAC4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESC1=C(c2cnsc2)CNCC1
InChIInChI=1S/C8H10N2S/c1-2-7(4-9-3-1)8-5-10-11-6-8/h2,5-6,9H,1,3-4H2
InChIKeyYDIXQGSHZHACRE-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.52
Rot. Bonds1

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

4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (PubChem CID 139343328) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
PubChem CID139343328
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESC1=C(c2cnsc2)CNCC1
InChIInChI=1S/C8H10N2S/c1-2-7(4-9-3-1)8-5-10-11-6-8/h2,5-6,9H,1,3-4H2
InChIKeyYDIXQGSHZHACRE-UHFFFAOYSA-N
XLogP1.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The IUPAC name of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (CID 139343328) is 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.
What is the SMILES notation for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The canonical SMILES for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is C1=C(c2cnsc2)CNCC1.
What is the InChIKey of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The InChIKey is YDIXQGSHZHACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-7(4-9-3-1)8-5-10-11-6-8/h2,5-6,9H,1,3-4H2.
What are the key properties of 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole has a molecular weight of 166.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is sourced from PubChem (CID 139343328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).