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

C23H23N5O3S2 — CID 59443732

IUPAC1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H23N5O3S2/c1-14-20(7-5-9-24-14)31-21-10-16(33-15(2)17-6-3-4-8-25-17)11-26-22(21)28-23-27-18(13-32-23)19(30)12-29/h3-11,13,15,19,29-30H,12H2,1-2H3,(H,26,27,28)
InChIKeyWNRRBMSHQDVOJO-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.05
Rot. Bonds9

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

1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443732) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443732
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H23N5O3S2/c1-14-20(7-5-9-24-14)31-21-10-16(33-15(2)17-6-3-4-8-25-17)11-26-22(21)28-23-27-18(13-32-23)19(30)12-29/h3-11,13,15,19,29-30H,12H2,1-2H3,(H,26,27,28)
InChIKeyWNRRBMSHQDVOJO-UHFFFAOYSA-N
XLogP5.05
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-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-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443615
1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443656
1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443609
1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
CID 59443647
1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443702
1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443667
1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443650
1-[2-[[3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443666
2,2-dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
CID 59443673
2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
CID 88878203
1-[4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(2-methyl-3-pyridinyl)sulfanyl]-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone
CID 59291724
N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87228881

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443732) is 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1ncccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is WNRRBMSHQDVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-14-20(7-5-9-24-14)31-21-10-16(33-15(2)17-6-3-4-8-25-17)11-26-22(21)28-23-27-18(13-32-23)19(30)12-29/h3-11,13,15,19,29-30H,12H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 481.60 g/mol, XLogP of 5.05, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).