(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite

C8H11ClN2S2 — CID 177318832

IUPAC(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite
SMILESClSc1cnc(C2CCCNC2)s1
InChIInChI=1S/C8H11ClN2S2/c9-13-7-5-11-8(12-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyFAURPMCZTFNKDP-UHFFFAOYSA-N
MW234.78 g/mol
LogP2.86
Rot. Bonds2

About (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite

(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite (PubChem CID 177318832) has the molecular formula C8H11ClN2S2 and a molecular weight of 234.78 g/mol. Its IUPAC name is (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite.

Molecular Properties

Compound Name(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite
PubChem CID177318832
Molecular FormulaC8H11ClN2S2
Molecular Weight234.78 g/mol
Exact Mass234.01
IUPAC Name(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite
SMILESClSc1cnc(C2CCCNC2)s1
InChIInChI=1S/C8H11ClN2S2/c9-13-7-5-11-8(12-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyFAURPMCZTFNKDP-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite?
The IUPAC name of (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite (CID 177318832) is (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite.
What is the SMILES notation for (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite?
The canonical SMILES for (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite is ClSc1cnc(C2CCCNC2)s1.
What is the InChIKey of (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite?
The InChIKey is FAURPMCZTFNKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S2/c9-13-7-5-11-8(12-7)6-2-1-3-10-4-6/h5-6,10H,1-4H2.
What are the key properties of (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite?
(2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite has a molecular weight of 234.78 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-3-yl-1,3-thiazol-5-yl) thiohypochlorite is sourced from PubChem (CID 177318832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).