2-piperidin-4-ylsulfonyl-1,3-thiazole

C8H12N2O2S2 — CID 66934019

IUPAC2-piperidin-4-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1nccs1)C1CCNCC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-10-5-6-13-8)7-1-3-9-4-2-7/h5-7,9H,1-4H2
InChIKeyFTSHGHQVQRUQDO-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.67
Rot. Bonds2

About 2-piperidin-4-ylsulfonyl-1,3-thiazole

2-piperidin-4-ylsulfonyl-1,3-thiazole (PubChem CID 66934019) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-4-ylsulfonyl-1,3-thiazole
PubChem CID66934019
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-piperidin-4-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1nccs1)C1CCNCC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-10-5-6-13-8)7-1-3-9-4-2-7/h5-7,9H,1-4H2
InChIKeyFTSHGHQVQRUQDO-UHFFFAOYSA-N
XLogP0.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2-piperidin-4-ylsulfonyl-1,3-thiazole (CID 66934019) is 2-piperidin-4-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-piperidin-4-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-piperidin-4-ylsulfonyl-1,3-thiazole is O=S(=O)(c1nccs1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylsulfonyl-1,3-thiazole?
The InChIKey is FTSHGHQVQRUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c11-14(12,8-10-5-6-13-8)7-1-3-9-4-2-7/h5-7,9H,1-4H2.
What are the key properties of 2-piperidin-4-ylsulfonyl-1,3-thiazole?
2-piperidin-4-ylsulfonyl-1,3-thiazole has a molecular weight of 232.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 66934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).