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

C12H13N3O3S — CID 61410847

IUPAC6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC1CO
InChIInChI=1S/C12H13N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2
InChIKeyVWMKNTKJTYQKJV-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.35
Rot. Bonds2

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

6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 61410847) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID61410847
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC1CO
InChIInChI=1S/C12H13N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2
InChIKeyVWMKNTKJTYQKJV-UHFFFAOYSA-N
XLogP0.35
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.35
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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 61410847) is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCC1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VWMKNTKJTYQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-7-8-2-1-3-14(8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2.
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.32 g/mol, XLogP of 0.35, 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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 61410847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).