N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S2 — CID 126471080

IUPACN-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-3-14(4-6-16)10(17)8-9(19-2)13-12-15(11(8)18)5-7-20-12/h5,7,16H,3-4,6H2,1-2H3
InChIKeyLXTZEDYFRJBWIN-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.93
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471080) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471080
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CCO)C(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-3-14(4-6-16)10(17)8-9(19-2)13-12-15(11(8)18)5-7-20-12/h5,7,16H,3-4,6H2,1-2H3
InChIKeyLXTZEDYFRJBWIN-UHFFFAOYSA-N
XLogP0.93
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
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-methoxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248286
N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42920026
N-(2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418224
N-(1-hydroxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418578
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43500913
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43573360

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471080) is N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CCO)C(=O)c1c(SC)nc2sccn2c1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LXTZEDYFRJBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-3-14(4-6-16)10(17)8-9(19-2)13-12-15(11(8)18)5-7-20-12/h5,7,16H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).