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

C24H24N4O4S2 — CID 59443636

IUPAC1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(CO)c2ccccc2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C24H24N4O4S2/c1-15-20(8-5-9-25-15)32-21-10-17(34-22(13-30)16-6-3-2-4-7-16)11-26-23(21)28-24-27-18(14-33-24)19(31)12-29/h2-11,14,19,22,29-31H,12-13H2,1H3,(H,26,27,28)
InChIKeyZJIBBFLTXAIXBR-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.63
Rot. Bonds10

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

1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443636) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-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-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443636
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(CO)c2ccccc2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C24H24N4O4S2/c1-15-20(8-5-9-25-15)32-21-10-17(34-22(13-30)16-6-3-2-4-7-16)11-26-23(21)28-24-27-18(14-33-24)19(31)12-29/h2-11,14,19,22,29-31H,12-13H2,1H3,(H,26,27,28)
InChIKeyZJIBBFLTXAIXBR-UHFFFAOYSA-N
XLogP4.63
TPSA120.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-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-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443636) is 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-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-hydroxy-1-phenylethyl)sulfanyl-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-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1ncccc1Oc1cc(SC(CO)c2ccccc2)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is ZJIBBFLTXAIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-15-20(8-5-9-25-15)32-21-10-17(34-22(13-30)16-6-3-2-4-7-16)11-26-23(21)28-24-27-18(14-33-24)19(31)12-29/h2-11,14,19,22,29-31H,12-13H2,1H3,(H,26,27,28).
What are the key properties of 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 496.61 g/mol, XLogP of 4.63, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).