2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

C14H18N4O2S2 — CID 30864211

IUPAC2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cccnc3)CC2)s1
InChIInChI=1S/C14H18N4O2S2/c1-2-13-16-17-14(21-13)11-5-8-18(9-6-11)22(19,20)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3
InChIKeyFNZQKNJLBZDNLL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.06
Rot. Bonds4

About 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 30864211) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID30864211
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCN(S(=O)(=O)c3cccnc3)CC2)s1
InChIInChI=1S/C14H18N4O2S2/c1-2-13-16-17-14(21-13)11-5-8-18(9-6-11)22(19,20)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3
InChIKeyFNZQKNJLBZDNLL-UHFFFAOYSA-N
XLogP2.06
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (CID 30864211) is 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is CCc1nnc(C2CCN(S(=O)(=O)c3cccnc3)CC2)s1.
What is the InChIKey of 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is FNZQKNJLBZDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-2-13-16-17-14(21-13)11-5-8-18(9-6-11)22(19,20)12-4-3-7-15-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3.
What are the key properties of 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 338.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30864211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).