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

C9H11N3OS — CID 17376217

IUPAC7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H11N3OS/c1-11(2)6-7-5-8(13)12-3-4-14-9(12)10-7/h3-5H,6H2,1-2H3
InChIKeyFAQBTCQXZLBWNR-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.82
Rot. Bonds2

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

7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17376217) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17376217
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H11N3OS/c1-11(2)6-7-5-8(13)12-3-4-14-9(12)10-7/h3-5H,6H2,1-2H3
InChIKeyFAQBTCQXZLBWNR-UHFFFAOYSA-N
XLogP0.82
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17376217) is 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FAQBTCQXZLBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-11(2)6-7-5-8(13)12-3-4-14-9(12)10-7/h3-5H,6H2,1-2H3.
What are the key properties of 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 209.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17376217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).