1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione

C11H15N3O4S — CID 10826993

IUPAC1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)N1C[C@H](n2cc(C)c(=O)[nH]c2=O)S[C@@H]1CO
InChIInChI=1S/C11H15N3O4S/c1-6-3-14(11(18)12-10(6)17)8-4-13(7(2)16)9(5-15)19-8/h3,8-9,15H,4-5H2,1-2H3,(H,12,17,18)/t8-,9-/m1/s1
InChIKeyKWHDTMVYZWBDSY-RKDXNWHRSA-N
MW285.33 g/mol
LogP-0.74
Rot. Bonds2

About 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10826993) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
PubChem CID10826993
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)N1C[C@H](n2cc(C)c(=O)[nH]c2=O)S[C@@H]1CO
InChIInChI=1S/C11H15N3O4S/c1-6-3-14(11(18)12-10(6)17)8-4-13(7(2)16)9(5-15)19-8/h3,8-9,15H,4-5H2,1-2H3,(H,12,17,18)/t8-,9-/m1/s1
InChIKeyKWHDTMVYZWBDSY-RKDXNWHRSA-N
XLogP-0.74
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione (CID 10826993) is 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione is CC(=O)N1C[C@H](n2cc(C)c(=O)[nH]c2=O)S[C@@H]1CO.
What is the InChIKey of 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KWHDTMVYZWBDSY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6-3-14(11(18)12-10(6)17)8-4-13(7(2)16)9(5-15)19-8/h3,8-9,15H,4-5H2,1-2H3,(H,12,17,18)/t8-,9-/m1/s1.
What are the key properties of 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 285.33 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3-acetyl-2-(hydroxymethyl)-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10826993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).