[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

C20H30N6O6S — CID 10195657

About [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (PubChem CID 10195657) has the molecular formula C20H30N6O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
• PubChem CID: 10195657
• Molecular Formula: C20H30N6O6S
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.19
• IUPAC Name: [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
• SMILES: CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C20H30N6O6S/c1-8(2)11(21)18(29)31-7-10-12(27)13(28)17(32-10)26-16-14(33-20(26)30)15(24-19(22)25-16)23-9-5-3-4-6-9/h8-13,17,27-28H,3-7,21H2,1-2H3,(H3,22,23,24,25)/t10-,11+,12-,13-,17-/m1/s1
• InChIKey: DPUXIGBFVUEGTB-QMZWZUABSA-N
• XLogP: -0.06
• TPSA: 187.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?

The IUPAC name of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (CID 10195657) is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate.

What is the SMILES notation for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?

The canonical SMILES for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?

The InChIKey is DPUXIGBFVUEGTB-QMZWZUABSA-N. The full InChI is InChI=1S/C20H30N6O6S/c1-8(2)11(21)18(29)31-7-10-12(27)13(28)17(32-10)26-16-14(33-20(26)30)15(24-19(22)25-16)23-9-5-3-4-6-9/h8-13,17,27-28H,3-7,21H2,1-2H3,(H3,22,23,24,25)/t10-,11+,12-,13-,17-/m1/s1.

What are the key properties of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?

[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate has a molecular weight of 482.56 g/mol, XLogP of -0.06, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 10195657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).