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

C13H9Cl2N3OS — CID 78795438

IUPAC7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)cc(Cl)c2)nc2sccn12
InChIInChI=1S/C13H9Cl2N3OS/c14-8-3-9(15)5-10(4-8)16-7-11-6-12(19)18-1-2-20-13(18)17-11/h1-6,16H,7H2
InChIKeyWQGUCEIIUKZZQV-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.67
Rot. Bonds3

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

7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 78795438) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID78795438
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)cc(Cl)c2)nc2sccn12
InChIInChI=1S/C13H9Cl2N3OS/c14-8-3-9(15)5-10(4-8)16-7-11-6-12(19)18-1-2-20-13(18)17-11/h1-6,16H,7H2
InChIKeyWQGUCEIIUKZZQV-UHFFFAOYSA-N
XLogP3.67
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 78795438) is 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNc2cc(Cl)cc(Cl)c2)nc2sccn12.
What is the InChIKey of 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WQGUCEIIUKZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-8-3-9(15)5-10(4-8)16-7-11-6-12(19)18-1-2-20-13(18)17-11/h1-6,16H,7H2.
What are the key properties of 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 326.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 78795438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).