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

C7H3ClF2N2OS — CID 10752329

IUPAC5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)Cl)n2ccsc2n1
InChIInChI=1S/C7H3ClF2N2OS/c8-7(9,10)4-3-5(13)11-6-12(4)1-2-14-6/h1-3H
InChIKeyITZMYLZNSVVQNI-UHFFFAOYSA-N
MW236.63 g/mol
LogP2.04
Rot. Bonds1

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

5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 10752329) has the molecular formula C7H3ClF2N2OS and a molecular weight of 236.63 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID10752329
Molecular FormulaC7H3ClF2N2OS
Molecular Weight236.63 g/mol
Exact Mass235.96
IUPAC Name5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)Cl)n2ccsc2n1
InChIInChI=1S/C7H3ClF2N2OS/c8-7(9,10)4-3-5(13)11-6-12(4)1-2-14-6/h1-3H
InChIKeyITZMYLZNSVVQNI-UHFFFAOYSA-N
XLogP2.04
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 10752329) is 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is O=c1cc(C(F)(F)Cl)n2ccsc2n1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is ITZMYLZNSVVQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2OS/c8-7(9,10)4-3-5(13)11-6-12(4)1-2-14-6/h1-3H.
What are the key properties of 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 236.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 10752329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).