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

C25H27N5O3S2 — CID 59443661

IUPAC2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(C)C(CO)CO)cs1
InChIInChI=1S/C25H27N5O3S2/c1-16-19(7-6-10-26-16)33-20-11-18(35-22-8-4-5-9-27-22)12-28-23(20)30-24-29-21(15-34-24)25(2,3)17(13-31)14-32/h4-12,15,17,31-32H,13-14H2,1-3H3,(H,28,29,30)
InChIKeyPOPAUSDQGHRMKP-UHFFFAOYSA-N
MW509.66 g/mol
LogP5.20
Rot. Bonds10

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

2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol (PubChem CID 59443661) has the molecular formula C25H27N5O3S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol
PubChem CID59443661
Molecular FormulaC25H27N5O3S2
Molecular Weight509.66 g/mol
Exact Mass509.16
IUPAC Name2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(C)C(CO)CO)cs1
InChIInChI=1S/C25H27N5O3S2/c1-16-19(7-6-10-26-16)33-20-11-18(35-22-8-4-5-9-27-22)12-28-23(20)30-24-29-21(15-34-24)25(2,3)17(13-31)14-32/h4-12,15,17,31-32H,13-14H2,1-3H3,(H,28,29,30)
InChIKeyPOPAUSDQGHRMKP-UHFFFAOYSA-N
XLogP5.20
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.66
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-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 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol?
The IUPAC name of 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol (CID 59443661) is 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(C)C(CO)CO)cs1.
What is the InChIKey of 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol?
The InChIKey is POPAUSDQGHRMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S2/c1-16-19(7-6-10-26-16)33-20-11-18(35-22-8-4-5-9-27-22)12-28-23(20)30-24-29-21(15-34-24)25(2,3)17(13-31)14-32/h4-12,15,17,31-32H,13-14H2,1-3H3,(H,28,29,30).
What are the key properties of 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol?
2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol has a molecular weight of 509.66 g/mol, XLogP of 5.20, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol is sourced from PubChem (CID 59443661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).