[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C10H13N4O2S+ — CID 8772037

IUPAC[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCNC(=O)C[NH2+]Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15)/p+1
InChIKeyRXVCDYNBQCUXDX-UHFFFAOYSA-O
MW253.31 g/mol
LogP-1.43
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 8772037) has the molecular formula C10H13N4O2S+ and a molecular weight of 253.31 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID8772037
Molecular FormulaC10H13N4O2S+
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCNC(=O)C[NH2+]Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15)/p+1
InChIKeyRXVCDYNBQCUXDX-UHFFFAOYSA-O
XLogP-1.43
TPSA80.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 8772037) is [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is CNC(=O)C[NH2+]Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is RXVCDYNBQCUXDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15)/p+1.
What are the key properties of [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
[2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 253.31 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 8772037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).