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

C11H12F3N3O3S — CID 103857382

IUPACN-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)6-16(1-3-18)8(19)7-5-15-10-17(9(7)20)2-4-21-10/h5,18H,1-4,6H2
InChIKeyMSUVOYSWUWQYBN-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.35
Rot. Bonds4

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

N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103857382) has the molecular formula C11H12F3N3O3S and a molecular weight of 323.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID103857382
Molecular FormulaC11H12F3N3O3S
Molecular Weight323.30 g/mol
Exact Mass323.06
IUPAC NameN-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)6-16(1-3-18)8(19)7-5-15-10-17(9(7)20)2-4-21-10/h5,18H,1-4,6H2
InChIKeyMSUVOYSWUWQYBN-UHFFFAOYSA-N
XLogP0.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 81343610
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107483041
N-(3-amino-2,2-difluoropropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120408581
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43573360
N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103857382) is N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MSUVOYSWUWQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3S/c12-11(13,14)6-16(1-3-18)8(19)7-5-15-10-17(9(7)20)2-4-21-10/h5,18H,1-4,6H2.
What are the key properties of N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103857382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).