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

C11H11F2N3O3S — CID 107482917

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(CCO)CC(F)F
InChIInChI=1S/C11H11F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h2,4-5,8,17H,1,3,6H2
InChIKeyIETKGPSSTPFILP-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.46
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 107482917) has the molecular formula C11H11F2N3O3S and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID107482917
Molecular FormulaC11H11F2N3O3S
Molecular Weight303.29 g/mol
Exact Mass303.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(CCO)CC(F)F
InChIInChI=1S/C11H11F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h2,4-5,8,17H,1,3,6H2
InChIKeyIETKGPSSTPFILP-UHFFFAOYSA-N
XLogP0.46
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47163274
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953
N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277736
N-methyl-N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51078962
N-methyl-N-[(2S)-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94173568
N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 50953235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 107482941
N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94891375
3-methyl-2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65220305
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 107482917) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2sccn2c1=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IETKGPSSTPFILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h2,4-5,8,17H,1,3,6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107482917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).