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

C14H15N3OS2 — CID 17400924

IUPAC3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccsc3)cc(=O)n12
InChIInChI=1S/C14H15N3OS2/c1-10-8-20-14-15-12(5-13(18)17(10)14)7-16(2)6-11-3-4-19-9-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHHJFPUWBZRACJF-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.76
Rot. Bonds4

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

3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17400924) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17400924
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccsc3)cc(=O)n12
InChIInChI=1S/C14H15N3OS2/c1-10-8-20-14-15-12(5-13(18)17(10)14)7-16(2)6-11-3-4-19-9-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHHJFPUWBZRACJF-UHFFFAOYSA-N
XLogP2.76
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17400924) is 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)Cc3ccsc3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HHJFPUWBZRACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-10-8-20-14-15-12(5-13(18)17(10)14)7-16(2)6-11-3-4-19-9-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 305.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[methyl(thiophen-3-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17400924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).