N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H9F2N3O3S — CID 104857204

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h1-3,16H,4-5H2,(H,14,17)
InChIKeyUZHKGUGXMPRISL-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.11
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 104857204) has the molecular formula C10H9F2N3O3S and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID104857204
Molecular FormulaC10H9F2N3O3S
Molecular Weight289.26 g/mol
Exact Mass289.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h1-3,16H,4-5H2,(H,14,17)
InChIKeyUZHKGUGXMPRISL-UHFFFAOYSA-N
XLogP0.11
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469468
5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18105678
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45823634
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103723005
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103755793
N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103769886
N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103770244
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103915453
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 104857317
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
N-(3-amino-2,2-difluoropropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120411946
N-(3-amino-2,2-difluoropropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120411947

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 104857204) is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(F)(F)CO)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UZHKGUGXMPRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h1-3,16H,4-5H2,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 104857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).