N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H13N3O2S — CID 17248354

IUPACN-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C11H13N3O2S/c1-4-12-9(15)8-5-13-11-14(10(8)16)6(2)7(3)17-11/h5H,4H2,1-3H3,(H,12,15)
InChIKeyCYZGHUNNJMMCHP-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.12
Rot. Bonds2

About N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248354) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248354
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C11H13N3O2S/c1-4-12-9(15)8-5-13-11-14(10(8)16)6(2)7(3)17-11/h5H,4H2,1-3H3,(H,12,15)
InChIKeyCYZGHUNNJMMCHP-UHFFFAOYSA-N
XLogP1.12
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-prop-2-enyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4448532
N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
N-(sec-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4344057
5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 155289318
N-(tert-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3441785
N-isobutyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4169048
N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472
N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
2,3-dimethyl-6-(1-pyrrolidinylcarbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17715959
2-(dipropylamino)-N-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942930
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248354) is N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CYZGHUNNJMMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-12-9(15)8-5-13-11-14(10(8)16)6(2)7(3)17-11/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).