5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide

C10H13N5O3S — CID 135518136

IUPAC5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide
SMILESNC(=O)CCCCn1c(=O)sc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H13N5O3S/c11-5(16)3-1-2-4-15-7-6(19-10(15)18)8(17)14-9(12)13-7/h1-4H2,(H2,11,16)(H3,12,13,14,17)
InChIKeyWUMIIWSAJHXIIN-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.62
Rot. Bonds5

About 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide

5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide (PubChem CID 135518136) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide
PubChem CID135518136
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide
SMILESNC(=O)CCCCn1c(=O)sc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H13N5O3S/c11-5(16)3-1-2-4-15-7-6(19-10(15)18)8(17)14-9(12)13-7/h1-4H2,(H2,11,16)(H3,12,13,14,17)
InChIKeyWUMIIWSAJHXIIN-UHFFFAOYSA-N
XLogP-0.62
TPSA136.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide?
The IUPAC name of 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide (CID 135518136) is 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide.
What is the SMILES notation for 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide?
The canonical SMILES for 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide is NC(=O)CCCCn1c(=O)sc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide?
The InChIKey is WUMIIWSAJHXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c11-5(16)3-1-2-4-15-7-6(19-10(15)18)8(17)14-9(12)13-7/h1-4H2,(H2,11,16)(H3,12,13,14,17).
What are the key properties of 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide?
5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide has a molecular weight of 283.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanamide is sourced from PubChem (CID 135518136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).