1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C23H26N6O3S2 — CID 59443684

IUPAC1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nn(C)c(C)c1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H26N6O3S2/c1-13-21(14(2)29(4)28-13)32-20-9-16(34-15(3)17-7-5-6-8-24-17)10-25-22(20)27-23-26-18(12-33-23)19(31)11-30/h5-10,12,15,19,30-31H,11H2,1-4H3,(H,25,26,27)
InChIKeyAYGOXBMPAMKPKL-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.70
Rot. Bonds9

About 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443684) has the molecular formula C23H26N6O3S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443684
Molecular FormulaC23H26N6O3S2
Molecular Weight498.63 g/mol
Exact Mass498.15
IUPAC Name1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nn(C)c(C)c1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H26N6O3S2/c1-13-21(14(2)29(4)28-13)32-20-9-16(34-15(3)17-7-5-6-8-24-17)10-25-22(20)27-23-26-18(12-33-23)19(31)11-30/h5-10,12,15,19,30-31H,11H2,1-4H3,(H,25,26,27)
InChIKeyAYGOXBMPAMKPKL-UHFFFAOYSA-N
XLogP4.70
TPSA118.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-ethyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742610
4-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742772
(1S)-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 25235270
Arry-403
CID 25235269
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
4-[4-[2-[(3-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 177376512
4-[4-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 177376513
1,3-dimethyl-N-[(2S)-2-pyridin-3-yloxypropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97282166
(2S)-N-[3-Fluoro-6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridyl]-4-methyl-2-(4-methylthiazol-2-yl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
CID 57512854
N-(5-bromo-3-phenoxypyridin-2-yl)-4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxymethyl]-1,3-thiazol-2-amine
CID 57742611
(1R)-1-[2-[[3-(4-fluorophenoxy)-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443651

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443684) is 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1nn(C)c(C)c1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is AYGOXBMPAMKPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S2/c1-13-21(14(2)29(4)28-13)32-20-9-16(34-15(3)17-7-5-6-8-24-17)10-25-22(20)27-23-26-18(12-33-23)19(31)11-30/h5-10,12,15,19,30-31H,11H2,1-4H3,(H,25,26,27).
What are the key properties of 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 498.63 g/mol, XLogP of 4.70, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).