3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H15N3O2S2 — CID 55510653

IUPAC3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3coc(-c4ccccc4)n3)cc(=O)n12
InChIInChI=1S/C18H15N3O2S2/c1-12-9-25-18-20-14(7-16(22)21(12)18)10-24-11-15-8-23-17(19-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyHMXREEQQFQRGPF-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55510653) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55510653
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3coc(-c4ccccc4)n3)cc(=O)n12
InChIInChI=1S/C18H15N3O2S2/c1-12-9-25-18-20-14(7-16(22)21(12)18)10-24-11-15-8-23-17(19-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyHMXREEQQFQRGPF-UHFFFAOYSA-N
XLogP4.15
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55510653) is 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSCc3coc(-c4ccccc4)n3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HMXREEQQFQRGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12-9-25-18-20-14(7-16(22)21(12)18)10-24-11-15-8-23-17(19-15)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 369.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55510653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).