4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole

C12H13ClN2S2 — CID 55084905

IUPAC4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(C3CCCCN3)n2)s1
InChIInChI=1S/C12H13ClN2S2/c13-11-5-4-10(17-11)9-7-16-12(15-9)8-3-1-2-6-14-8/h4-5,7-8,14H,1-3,6H2
InChIKeyAEJQOONJCADKHX-UHFFFAOYSA-N
MW284.84 g/mol
LogP4.34
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole (PubChem CID 55084905) has the molecular formula C12H13ClN2S2 and a molecular weight of 284.84 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole
PubChem CID55084905
Molecular FormulaC12H13ClN2S2
Molecular Weight284.84 g/mol
Exact Mass284.02
IUPAC Name4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(C3CCCCN3)n2)s1
InChIInChI=1S/C12H13ClN2S2/c13-11-5-4-10(17-11)9-7-16-12(15-9)8-3-1-2-6-14-8/h4-5,7-8,14H,1-3,6H2
InChIKeyAEJQOONJCADKHX-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole (CID 55084905) is 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole is Clc1ccc(-c2csc(C3CCCCN3)n2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is AEJQOONJCADKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S2/c13-11-5-4-10(17-11)9-7-16-12(15-9)8-3-1-2-6-14-8/h4-5,7-8,14H,1-3,6H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 284.84 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 55084905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).