7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C12H12N4OS2 — CID 18166985

IUPAC7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N(C)Cc3ccsc3)sc2n1
InChIInChI=1S/C12H12N4OS2/c1-8-5-10(17)16-11(13-8)19-12(14-16)15(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3
InChIKeyXGDZBWHKZGJIOV-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.16
Rot. Bonds3

About 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18166985) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID18166985
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N(C)Cc3ccsc3)sc2n1
InChIInChI=1S/C12H12N4OS2/c1-8-5-10(17)16-11(13-8)19-12(14-16)15(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3
InChIKeyXGDZBWHKZGJIOV-UHFFFAOYSA-N
XLogP2.16
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18166985) is 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N(C)Cc3ccsc3)sc2n1.
What is the InChIKey of 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XGDZBWHKZGJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-8-5-10(17)16-11(13-8)19-12(14-16)15(2)6-9-3-4-18-7-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).