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

C12H15N3O3S — CID 126470833

IUPACN-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C12H15N3O3S/c1-3-14(4-5-16)10(17)9-6-13-12-15(11(9)18)7-8(2)19-12/h6-7,16H,3-5H2,1-2H3
InChIKeyGWNSKYDHIUDESO-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.52
Rot. Bonds4

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

N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470833) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470833
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C12H15N3O3S/c1-3-14(4-5-16)10(17)9-6-13-12-15(11(9)18)7-8(2)19-12/h6-7,16H,3-5H2,1-2H3
InChIKeyGWNSKYDHIUDESO-UHFFFAOYSA-N
XLogP0.52
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99832306
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103857382
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103915453
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-(2-hydroxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248285
N-(2-hydroxyethyl)-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17715944
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43573360
N-(1-hydroxypropan-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109953456
N-(2-hydroxypropyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109974674
N-(1-hydroxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109974694
N-(2-hydroxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109983475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470833) is N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CCO)C(=O)c1cnc2sc(C)cn2c1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GWNSKYDHIUDESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-14(4-5-16)10(17)9-6-13-12-15(11(9)18)7-8(2)19-12/h6-7,16H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).