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

C16H17N3OS — CID 17396976

IUPAC7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C16H17N3OS/c1-12-11-21-16-17-14(8-15(20)19(12)16)10-18(2)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3
InChIKeyLHSUNSYENNMAKM-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.70
Rot. Bonds4

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

7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17396976) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17396976
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccccc3)cc(=O)n12
InChIInChI=1S/C16H17N3OS/c1-12-11-21-16-17-14(8-15(20)19(12)16)10-18(2)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3
InChIKeyLHSUNSYENNMAKM-UHFFFAOYSA-N
XLogP2.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17396976) is 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)Cc3ccccc3)cc(=O)n12.
What is the InChIKey of 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LHSUNSYENNMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12-11-21-16-17-14(8-15(20)19(12)16)10-18(2)9-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 299.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[benzyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).