2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol

C12H19N5OS2 — CID 22648978

IUPAC2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
SMILESCCCCCSc1nc(NCCO)c2sc(N)nc2n1
InChIInChI=1S/C12H19N5OS2/c1-2-3-4-7-19-12-16-9(14-5-6-18)8-10(17-12)15-11(13)20-8/h18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyIQWZNPGSAYIIQQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.36
Rot. Bonds8

About 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol

2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol (PubChem CID 22648978) has the molecular formula C12H19N5OS2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
PubChem CID22648978
Molecular FormulaC12H19N5OS2
Molecular Weight313.45 g/mol
Exact Mass313.10
IUPAC Name2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
SMILESCCCCCSc1nc(NCCO)c2sc(N)nc2n1
InChIInChI=1S/C12H19N5OS2/c1-2-3-4-7-19-12-16-9(14-5-6-18)8-10(17-12)15-11(13)20-8/h18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyIQWZNPGSAYIIQQ-UHFFFAOYSA-N
XLogP2.36
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol (CID 22648978) is 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol is CCCCCSc1nc(NCCO)c2sc(N)nc2n1.
What is the InChIKey of 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The InChIKey is IQWZNPGSAYIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS2/c1-2-3-4-7-19-12-16-9(14-5-6-18)8-10(17-12)15-11(13)20-8/h18H,2-7H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol has a molecular weight of 313.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 22648978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).