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

C24H25N5O3S2 — CID 59443653

IUPAC3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(CC(O)C(C)(C)O)cs1
InChIInChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-12-17(34-21-8-4-5-9-26-21)13-27-22(19)29-23-28-16(14-33-23)11-20(30)24(2,3)31/h4-10,12-14,20,30-31H,11H2,1-3H3,(H,27,28,29)
InChIKeySIPBKOWJXCEHLF-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.00
Rot. Bonds9

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

3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol (PubChem CID 59443653) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol.

Molecular Properties

Compound Name3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol
PubChem CID59443653
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC Name3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(CC(O)C(C)(C)O)cs1
InChIInChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-12-17(34-21-8-4-5-9-26-21)13-27-22(19)29-23-28-16(14-33-23)11-20(30)24(2,3)31/h4-10,12-14,20,30-31H,11H2,1-3H3,(H,27,28,29)
InChIKeySIPBKOWJXCEHLF-UHFFFAOYSA-N
XLogP5.00
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol?
The IUPAC name of 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol (CID 59443653) is 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol.
What is the SMILES notation for 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol?
The canonical SMILES for 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(CC(O)C(C)(C)O)cs1.
What is the InChIKey of 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol?
The InChIKey is SIPBKOWJXCEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-15-18(7-6-10-25-15)32-19-12-17(34-21-8-4-5-9-26-21)13-27-22(19)29-23-28-16(14-33-23)11-20(30)24(2,3)31/h4-10,12-14,20,30-31H,11H2,1-3H3,(H,27,28,29).
What are the key properties of 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol?
3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol has a molecular weight of 495.63 g/mol, XLogP of 5.00, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol is sourced from PubChem (CID 59443653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).