5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane

C12H17N5O4S — CID 143018180

IUPAC5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane
SMILESCC.Nc1nc2c(sc(=O)n2C2CCC(CN=O)O2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O4S.C2H6/c11-9-13-7-6(8(16)14-9)20-10(17)15(7)5-2-1-4(19-5)3-12-18;1-2/h4-5H,1-3H2,(H3,11,13,14,16);1-2H3
InChIKeyTZTYEPNYQDGDDE-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane

5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane (PubChem CID 143018180) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane.

Molecular Properties

Compound Name5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane
PubChem CID143018180
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC Name5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane
SMILESCC.Nc1nc2c(sc(=O)n2C2CCC(CN=O)O2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O4S.C2H6/c11-9-13-7-6(8(16)14-9)20-10(17)15(7)5-2-1-4(19-5)3-12-18;1-2/h4-5H,1-3H2,(H3,11,13,14,16);1-2H3
InChIKeyTZTYEPNYQDGDDE-UHFFFAOYSA-N
XLogP1.20
TPSA132.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-amino-3-[5-(1-hydroxypropyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 145414487
5-amino-3-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137176980
5-amino-3-[(2R,4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 147154349
5-amino-3-[(2S,5R)-2-(1-hydroxypentyl)-1,3-oxathiolan-5-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137081977
5-amino-3-[(2R,3S,5R)-5-ethyl-3-(2-hydroxypropan-2-yl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 162121995
5-amino-3-[(2R,5R)-5-(2-hydroxyethyl)-3-oxooxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 143247513
[(2R,5R)-5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
CID 143247440
5-amino-3-[(2R,3S)-3-[cyclopropyl(hydroxy)methyl]-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 149033705
[(2R,3R,5S)-2-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 135453230
5-amino-3-[(2R,3R,5R)-5-ethyl-3-(2-methylprop-2-enyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137072433
5-amino-3-[3-[cyclopropyl(hydroxy)methyl]-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 166775130
5-amino-3-[(2R,3R,5S)-3-hydroxy-5-(1-hydroxypropyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137108721

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane?
The IUPAC name of 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane (CID 143018180) is 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane.
What is the SMILES notation for 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane?
The canonical SMILES for 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane is CC.Nc1nc2c(sc(=O)n2C2CCC(CN=O)O2)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane?
The InChIKey is TZTYEPNYQDGDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S.C2H6/c11-9-13-7-6(8(16)14-9)20-10(17)15(7)5-2-1-4(19-5)3-12-18;1-2/h4-5H,1-3H2,(H3,11,13,14,16);1-2H3.
What are the key properties of 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane?
5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane has a molecular weight of 327.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-(nitrosomethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione;ethane is sourced from PubChem (CID 143018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).