5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C11H14N4O5S — CID 59644801

IUPAC5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O5S/c1-3-7-8(14-10(12)13-3)15(11(19)21-7)9-6(18)5(17)4(2-16)20-9/h4-6,9,16-18H,2H2,1H3,(H2,12,13,14)/t4-,5-,6-,9-/m1/s1
InChIKeyJYSKWTCHDNSRRB-MWKIOEHESA-N
MW314.32 g/mol
LogP-1.64
Rot. Bonds2

About 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 59644801) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID59644801
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O5S/c1-3-7-8(14-10(12)13-3)15(11(19)21-7)9-6(18)5(17)4(2-16)20-9/h4-6,9,16-18H,2H2,1H3,(H2,12,13,14)/t4-,5-,6-,9-/m1/s1
InChIKeyJYSKWTCHDNSRRB-MWKIOEHESA-N
XLogP-1.64
TPSA143.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 59644801) is 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is Cc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is JYSKWTCHDNSRRB-MWKIOEHESA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-3-7-8(14-10(12)13-3)15(11(19)21-7)9-6(18)5(17)4(2-16)20-9/h4-6,9,16-18H,2H2,1H3,(H2,12,13,14)/t4-,5-,6-,9-/m1/s1.
What are the key properties of 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 314.32 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 59644801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).