1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol

C21H20N6O3S2 — CID 66584158

IUPAC1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
SMILESCc1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C(O)CO)ns2)c(C)n1
InChIInChI=1S/C21H20N6O3S2/c1-12-6-7-16(13(2)24-12)30-17-9-14(31-18-5-3-4-8-22-18)10-23-20(17)26-21-25-19(27-32-21)15(29)11-28/h3-10,15,28-29H,11H2,1-2H3,(H,23,25,26,27)
InChIKeyNARRNXGFBLOLIN-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.05
Rot. Bonds8

About 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol

1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol (PubChem CID 66584158) has the molecular formula C21H20N6O3S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
PubChem CID66584158
Molecular FormulaC21H20N6O3S2
Molecular Weight468.56 g/mol
Exact Mass468.10
IUPAC Name1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
SMILESCc1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C(O)CO)ns2)c(C)n1
InChIInChI=1S/C21H20N6O3S2/c1-12-6-7-16(13(2)24-12)30-17-9-14(31-18-5-3-4-8-22-18)10-23-20(17)26-21-25-19(27-32-21)15(29)11-28/h3-10,15,28-29H,11H2,1-2H3,(H,23,25,26,27)
InChIKeyNARRNXGFBLOLIN-UHFFFAOYSA-N
XLogP4.05
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-(5-(3-(2-Methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 59291641
1-{3-[(2-Ethylpyridin-3-Yl)oxy]-5-(Pyridin-2-Ylsulfanyl)pyridin-2-Yl}-3-Methylurea
CID 78350461
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
3-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 24765289
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765540
(R)-2-hydroxy-1-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)propan-1-one
CID 25099728
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742580
2-Hydroxy-1-[4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone
CID 57742590
4-ethyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742610
1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 57742634

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol (CID 66584158) is 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol is Cc1ccc(Oc2cc(Sc3ccccn3)cnc2Nc2nc(C(O)CO)ns2)c(C)n1.
What is the InChIKey of 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol?
The InChIKey is NARRNXGFBLOLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S2/c1-12-6-7-16(13(2)24-12)30-17-9-14(31-18-5-3-4-8-22-18)10-23-20(17)26-21-25-19(27-32-21)15(29)11-28/h3-10,15,28-29H,11H2,1-2H3,(H,23,25,26,27).
What are the key properties of 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol?
1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol has a molecular weight of 468.56 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-[(2,6-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol is sourced from PubChem (CID 66584158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).