2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol

C18H20N4O2S — CID 88878203

IUPAC2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1cnc(Nc2nc(C(C)(C)O)cs2)c(Oc2cccnc2C)c1
InChIInChI=1S/C18H20N4O2S/c1-11-8-14(24-13-6-5-7-19-12(13)2)16(20-9-11)22-17-21-15(10-25-17)18(3,4)23/h5-10,23H,1-4H3,(H,20,21,22)
InChIKeyNSWQONAVZIECDJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.31
Rot. Bonds5

About 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 88878203) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID88878203
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1cnc(Nc2nc(C(C)(C)O)cs2)c(Oc2cccnc2C)c1
InChIInChI=1S/C18H20N4O2S/c1-11-8-14(24-13-6-5-7-19-12(13)2)16(20-9-11)22-17-21-15(10-25-17)18(3,4)23/h5-10,23H,1-4H3,(H,20,21,22)
InChIKeyNSWQONAVZIECDJ-UHFFFAOYSA-N
XLogP4.31
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol (CID 88878203) is 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol is Cc1cnc(Nc2nc(C(C)(C)O)cs2)c(Oc2cccnc2C)c1.
What is the InChIKey of 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is NSWQONAVZIECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-8-14(24-13-6-5-7-19-12(13)2)16(20-9-11)22-17-21-15(10-25-17)18(3,4)23/h5-10,23H,1-4H3,(H,20,21,22).
What are the key properties of 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol?
2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 356.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 88878203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).