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

C18H26N6O6S — CID 10151606

IUPAC[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(NC4CC4)nc(N)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N6O6S/c1-6(2)9(19)16(27)29-5-8-10(25)11(26)15(30-8)24-14-12(31-18(24)28)13(21-7-3-4-7)22-17(20)23-14/h6-11,15,25-26H,3-5,19H2,1-2H3,(H3,20,21,22,23)/t8-,9+,10-,11-,15-/m1/s1
InChIKeyTYUCXIDFMDXFCO-HMACKLAMSA-N
MW454.51 g/mol
LogP-0.84
Rot. Bonds7

About [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (PubChem CID 10151606) has the molecular formula C18H26N6O6S and a molecular weight of 454.51 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
PubChem CID10151606
Molecular FormulaC18H26N6O6S
Molecular Weight454.51 g/mol
Exact Mass454.16
IUPAC Name[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(NC4CC4)nc(N)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26N6O6S/c1-6(2)9(19)16(27)29-5-8-10(25)11(26)15(30-8)24-14-12(31-18(24)28)13(21-7-3-4-7)22-17(20)23-14/h6-11,15,25-26H,3-5,19H2,1-2H3,(H3,20,21,22,23)/t8-,9+,10-,11-,15-/m1/s1
InChIKeyTYUCXIDFMDXFCO-HMACKLAMSA-N
XLogP-0.84
TPSA187.84 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate 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 [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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-(cyclopropylamino)-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (CID 10151606) is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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-(cyclopropylamino)-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-(cyclopropylamino)-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(NC4CC4)nc(N)nc32)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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 TYUCXIDFMDXFCO-HMACKLAMSA-N. The full InChI is InChI=1S/C18H26N6O6S/c1-6(2)9(19)16(27)29-5-8-10(25)11(26)15(30-8)24-14-12(31-18(24)28)13(21-7-3-4-7)22-17(20)23-14/h6-11,15,25-26H,3-5,19H2,1-2H3,(H3,20,21,22,23)/t8-,9+,10-,11-,15-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-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-(cyclopropylamino)-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 454.51 g/mol, XLogP of -0.84, 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-(cyclopropylamino)-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 10151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).