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

C22H19ClN4O4S — CID 59443650

IUPAC1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(Oc2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C22H19ClN4O4S/c1-13-18(7-4-8-24-13)31-20-9-14(30-19-6-3-2-5-15(19)23)10-25-21(20)27-22-26-16(12-32-22)17(29)11-28/h2-10,12,17,28-29H,11H2,1H3,(H,25,26,27)
InChIKeyWRZVKBTWCVXREN-UHFFFAOYSA-N
MW470.94 g/mol
LogP5.25
Rot. Bonds8

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

1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443650) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443650
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(Oc2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C22H19ClN4O4S/c1-13-18(7-4-8-24-13)31-20-9-14(30-19-6-3-2-5-15(19)23)10-25-21(20)27-22-26-16(12-32-22)17(29)11-28/h2-10,12,17,28-29H,11H2,1H3,(H,25,26,27)
InChIKeyWRZVKBTWCVXREN-UHFFFAOYSA-N
XLogP5.25
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.94
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 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) is 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1ncccc1Oc1cc(Oc2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is WRZVKBTWCVXREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-13-18(7-4-8-24-13)31-20-9-14(30-19-6-3-2-5-15(19)23)10-25-21(20)27-22-26-16(12-32-22)17(29)11-28/h2-10,12,17,28-29H,11H2,1H3,(H,25,26,27).
What are the key properties of 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 470.94 g/mol, XLogP of 5.25, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).