3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H18N4O2S — CID 92849796

IUPAC3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc([C@@H]2CCCN2Cc2cc(=O)n3c(C)csc3n2)no1
InChIInChI=1S/C16H18N4O2S/c1-10-9-23-16-17-12(7-15(21)20(10)16)8-19-5-3-4-14(19)13-6-11(2)22-18-13/h6-7,9,14H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyWUTFWRVIUQHRDP-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds3

About 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 92849796) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID92849796
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc([C@@H]2CCCN2Cc2cc(=O)n3c(C)csc3n2)no1
InChIInChI=1S/C16H18N4O2S/c1-10-9-23-16-17-12(7-15(21)20(10)16)8-19-5-3-4-14(19)13-6-11(2)22-18-13/h6-7,9,14H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyWUTFWRVIUQHRDP-AWEZNQCLSA-N
XLogP2.70
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 92849796) is 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3c(C)csc3n2)no1.
What is the InChIKey of 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WUTFWRVIUQHRDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-9-23-16-17-12(7-15(21)20(10)16)8-19-5-3-4-14(19)13-6-11(2)22-18-13/h6-7,9,14H,3-5,8H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 330.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 92849796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).