5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C10H14N4S2 — CID 139920001

IUPAC5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCCCCCSc1ncc2sc(N)nc2n1
InChIInChI=1S/C10H14N4S2/c1-2-3-4-5-15-10-12-6-7-8(14-10)13-9(11)16-7/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyVTUVOWFNQMWLET-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.95
Rot. Bonds5

About 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 139920001) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID139920001
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCCCCCSc1ncc2sc(N)nc2n1
InChIInChI=1S/C10H14N4S2/c1-2-3-4-5-15-10-12-6-7-8(14-10)13-9(11)16-7/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyVTUVOWFNQMWLET-UHFFFAOYSA-N
XLogP2.95
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 139920001) is 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CCCCCSc1ncc2sc(N)nc2n1.
What is the InChIKey of 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is VTUVOWFNQMWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-2-3-4-5-15-10-12-6-7-8(14-10)13-9(11)16-7/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 139920001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).