7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H11N3OS3 — CID 84592468

IUPAC7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CSC(SCc2cc(=O)n3ccsc3n2)=N1
InChIInChI=1S/C11H11N3OS3/c1-7-5-17-11(12-7)18-6-8-4-9(15)14-2-3-16-10(14)13-8/h2-4,7H,5-6H2,1H3
InChIKeyWYFVDPTXUXTHPK-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.48
Rot. Bonds2

About 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 84592468) has the molecular formula C11H11N3OS3 and a molecular weight of 297.43 g/mol. Its IUPAC name is 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID84592468
Molecular FormulaC11H11N3OS3
Molecular Weight297.43 g/mol
Exact Mass297.01
IUPAC Name7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CSC(SCc2cc(=O)n3ccsc3n2)=N1
InChIInChI=1S/C11H11N3OS3/c1-7-5-17-11(12-7)18-6-8-4-9(15)14-2-3-16-10(14)13-8/h2-4,7H,5-6H2,1H3
InChIKeyWYFVDPTXUXTHPK-UHFFFAOYSA-N
XLogP2.48
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6468090
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N,N-diethylcarbamodithioate
CID 8891253
2,7-Dimethyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
3,7-Dimethyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine
CID 86221258
7-{[methyl(tetrahydro-2H-thiopyran-4-yl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839100
5-methyl-7H-[1,2-a]pyrimidin-7-one
CID 54613743
8-methyl-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 19001813
7-(Sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24689332
7-Ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67796434
2-Ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67796511
7-(Methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009535

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 84592468) is 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CSC(SCc2cc(=O)n3ccsc3n2)=N1.
What is the InChIKey of 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WYFVDPTXUXTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS3/c1-7-5-17-11(12-7)18-6-8-4-9(15)14-2-3-16-10(14)13-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 297.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 84592468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).