7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H15N3OS2 — CID 66223155

IUPAC7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(N)CSCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3OS2/c1-11(2,12)7-16-6-8-5-9(15)14-3-4-17-10(14)13-8/h3-5H,6-7,12H2,1-2H3
InChIKeyDRCWGKVIXMLXIQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.73
Rot. Bonds4

About 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66223155) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66223155
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)(N)CSCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H15N3OS2/c1-11(2,12)7-16-6-8-5-9(15)14-3-4-17-10(14)13-8/h3-5H,6-7,12H2,1-2H3
InChIKeyDRCWGKVIXMLXIQ-UHFFFAOYSA-N
XLogP1.73
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66223155) is 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)(N)CSCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DRCWGKVIXMLXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-11(2,12)7-16-6-8-5-9(15)14-3-4-17-10(14)13-8/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 269.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-2-methylpropyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66223155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).