2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol

C14H14N6OS — CID 15978891

IUPAC2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol
SMILESOCCNc1ccnc(Nc2ncc(-c3cncnc3)s2)c1
InChIInChI=1S/C14H14N6OS/c21-4-3-17-11-1-2-18-13(5-11)20-14-19-8-12(22-14)10-6-15-9-16-7-10/h1-2,5-9,21H,3-4H2,(H2,17,18,19,20)
InChIKeyLELCYHLXNZROSN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.14
Rot. Bonds6

About 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol

2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol (PubChem CID 15978891) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol
PubChem CID15978891
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol
SMILESOCCNc1ccnc(Nc2ncc(-c3cncnc3)s2)c1
InChIInChI=1S/C14H14N6OS/c21-4-3-17-11-1-2-18-13(5-11)20-14-19-8-12(22-14)10-6-15-9-16-7-10/h1-2,5-9,21H,3-4H2,(H2,17,18,19,20)
InChIKeyLELCYHLXNZROSN-UHFFFAOYSA-N
XLogP2.14
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol (CID 15978891) is 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol is OCCNc1ccnc(Nc2ncc(-c3cncnc3)s2)c1.
What is the InChIKey of 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol?
The InChIKey is LELCYHLXNZROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-4-3-17-11-1-2-18-13(5-11)20-14-19-8-12(22-14)10-6-15-9-16-7-10/h1-2,5-9,21H,3-4H2,(H2,17,18,19,20).
What are the key properties of 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol?
2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol has a molecular weight of 314.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 15978891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).