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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Related Compounds

7-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10735637
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
CID 2328534
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 77095874
6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
CID 25267672
5-aminoimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 83876178
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 91768845
ethyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
CID 71670331
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284

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).