4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride

C23H25ClN8O3S3 — CID 67487949

IUPAC4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(N)(=O)=O)CC2)ns1.Cl
InChIInChI=1S/C23H24N8O3S3.ClH/c1-15-18(5-4-10-25-15)34-19-13-17(35-20-6-2-3-9-26-20)14-27-22(19)29-23-28-21(30-36-23)16-7-11-31(12-8-16)37(24,32)33;/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,32,33)(H,27,28,29,30);1H
InChIKeyCCIXMLXWYYTMHF-UHFFFAOYSA-N
MW593.16 g/mol
LogP4.52
Rot. Bonds8

About 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride

4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride (PubChem CID 67487949) has the molecular formula C23H25ClN8O3S3 and a molecular weight of 593.16 g/mol. Its IUPAC name is 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride
PubChem CID67487949
Molecular FormulaC23H25ClN8O3S3
Molecular Weight593.16 g/mol
Exact Mass592.09
IUPAC Name4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(N)(=O)=O)CC2)ns1.Cl
InChIInChI=1S/C23H24N8O3S3.ClH/c1-15-18(5-4-10-25-15)34-19-13-17(35-20-6-2-3-9-26-20)14-27-22(19)29-23-28-21(30-36-23)16-7-11-31(12-8-16)37(24,32)33;/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,32,33)(H,27,28,29,30);1H
InChIKeyCCIXMLXWYYTMHF-UHFFFAOYSA-N
XLogP4.52
TPSA149.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.16
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride (CID 67487949) is 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(N)(=O)=O)CC2)ns1.Cl.
What is the InChIKey of 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride?
The InChIKey is CCIXMLXWYYTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3S3.ClH/c1-15-18(5-4-10-25-15)34-19-13-17(35-20-6-2-3-9-26-20)14-27-22(19)29-23-28-21(30-36-23)16-7-11-31(12-8-16)37(24,32)33;/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,24,32,33)(H,27,28,29,30);1H.
What are the key properties of 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride?
4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride has a molecular weight of 593.16 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 67487949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).