N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

C24H25N7O3S3 — CID 59291609

IUPACN-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(C)(=O)=O)CC2)ns1
InChIInChI=1S/C24H25N7O3S3/c1-16-19(6-5-11-25-16)34-20-14-18(35-21-7-3-4-10-26-21)15-27-23(20)29-24-28-22(30-36-24)17-8-12-31(13-9-17)37(2,32)33/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,27,28,29,30)
InChIKeyRXEPTVLJQLRTNX-UHFFFAOYSA-N
MW555.71 g/mol
LogP4.86
Rot. Bonds8

About N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine

N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 59291609) has the molecular formula C24H25N7O3S3 and a molecular weight of 555.71 g/mol. Its IUPAC name is N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID59291609
Molecular FormulaC24H25N7O3S3
Molecular Weight555.71 g/mol
Exact Mass555.12
IUPAC NameN-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(C)(=O)=O)CC2)ns1
InChIInChI=1S/C24H25N7O3S3/c1-16-19(6-5-11-25-16)34-20-14-18(35-21-7-3-4-10-26-21)15-27-23(20)29-24-28-22(30-36-24)17-8-12-31(13-9-17)37(2,32)33/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,27,28,29,30)
InChIKeyRXEPTVLJQLRTNX-UHFFFAOYSA-N
XLogP4.86
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.71
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine (CID 59291609) is N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C2CCN(S(C)(=O)=O)CC2)ns1.
What is the InChIKey of N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RXEPTVLJQLRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S3/c1-16-19(6-5-11-25-16)34-20-14-18(35-21-7-3-4-10-26-21)15-27-23(20)29-24-28-22(30-36-24)17-8-12-31(13-9-17)37(2,32)33/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,27,28,29,30).
What are the key properties of N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine?
N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 555.71 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 59291609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).