6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H15N3O3S — CID 61409091

IUPAC6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC1CO
InChIInChI=1S/C12H15N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h6,8,16H,1-5,7H2
InChIKeyRWOKGLXOWPNHKM-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.05
Rot. Bonds2

About 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 61409091) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID61409091
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC1CO
InChIInChI=1S/C12H15N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h6,8,16H,1-5,7H2
InChIKeyRWOKGLXOWPNHKM-UHFFFAOYSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 61409091) is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCCC1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RWOKGLXOWPNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h6,8,16H,1-5,7H2.
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 281.34 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 61409091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).