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

C13H13N3OS2 — CID 9054691

IUPAC7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1ccsc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3
InChIKeyUCHJTKBUQSPYJN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.45
Rot. Bonds4

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

7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9054691) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9054691
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1ccsc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3
InChIKeyUCHJTKBUQSPYJN-UHFFFAOYSA-N
XLogP2.45
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9054691) is 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(Cc1ccsc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UCHJTKBUQSPYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9054691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).