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

C8H9ClN2S — CID 165452298

IUPAC4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESClC1C=C(c2cnsc2)CNC1
InChIInChI=1S/C8H9ClN2S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4H2
InChIKeyJISGRHURZCMDAB-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.74
Rot. Bonds1

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

4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (PubChem CID 165452298) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
PubChem CID165452298
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESClC1C=C(c2cnsc2)CNC1
InChIInChI=1S/C8H9ClN2S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4H2
InChIKeyJISGRHURZCMDAB-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,3,6-Tetrahydropyridin-5-yl)-1,2-thiazole
CID 139343328
4-(1,2-Thiazol-4-yl)pent-3-en-1-amine
CID 164647178
5-(1,2-Thiazol-4-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165451589

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The IUPAC name of 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (CID 165452298) is 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.
What is the SMILES notation for 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The canonical SMILES for 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is ClC1C=C(c2cnsc2)CNC1.
What is the InChIKey of 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The InChIKey is JISGRHURZCMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1,3,5,8,10H,2,4H2.
What are the key properties of 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole has a molecular weight of 200.69 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is sourced from PubChem (CID 165452298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).