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

C10H10F3N3O3S — CID 103755793

IUPAC5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6(17)4-14-7(18)5-3-15-9-16(8(5)19)1-2-20-9/h3,6,17H,1-2,4H2,(H,14,18)
InChIKeyFCZMOWKYHGTHJV-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.00
Rot. Bonds3

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

5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103755793) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID103755793
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC Name5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H10F3N3O3S/c11-10(12,13)6(17)4-14-7(18)5-3-15-9-16(8(5)19)1-2-20-9/h3,6,17H,1-2,4H2,(H,14,18)
InChIKeyFCZMOWKYHGTHJV-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103755793) is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)C(F)(F)F)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FCZMOWKYHGTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c11-10(12,13)6(17)4-14-7(18)5-3-15-9-16(8(5)19)1-2-20-9/h3,6,17H,1-2,4H2,(H,14,18).
What are the key properties of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103755793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).