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

C16H23N3O2S — CID 84598658

IUPACN-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-6-10(3)9-18(7-2)14(20)13-8-17-16-19(15(13)21)11(4)12(5)22-16/h8,10H,6-7,9H2,1-5H3
InChIKeyJDOKKFDDQONBQG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.88
Rot. Bonds5

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

N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 84598658) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID84598658
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-6-10(3)9-18(7-2)14(20)13-8-17-16-19(15(13)21)11(4)12(5)22-16/h8,10H,6-7,9H2,1-5H3
InChIKeyJDOKKFDDQONBQG-UHFFFAOYSA-N
XLogP2.88
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 84598658) is N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(C)CN(CC)C(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JDOKKFDDQONBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-6-10(3)9-18(7-2)14(20)13-8-17-16-19(15(13)21)11(4)12(5)22-16/h8,10H,6-7,9H2,1-5H3.
What are the key properties of N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 84598658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).