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

C23H23N5O3S2 — CID 59443628

IUPAC2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1
InChIInChI=1S/C23H23N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30/h4-13,20,29-30H,1-3H3,(H,26,27,28)
InChIKeyBBMIXXRNGIIIPD-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.13
Rot. Bonds8

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

2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol (PubChem CID 59443628) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
PubChem CID59443628
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1
InChIInChI=1S/C23H23N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30/h4-13,20,29-30H,1-3H3,(H,26,27,28)
InChIKeyBBMIXXRNGIIIPD-UHFFFAOYSA-N
XLogP5.13
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol?
The IUPAC name of 2-methyl-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 59443628) is 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol?
The canonical SMILES for 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1.
What is the InChIKey of 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol?
The InChIKey is BBMIXXRNGIIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30/h4-13,20,29-30H,1-3H3,(H,26,27,28).
What are the key properties of 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol?
2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol has a molecular weight of 481.60 g/mol, XLogP of 5.13, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol is sourced from PubChem (CID 59443628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).