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

C14H19N3O2S — CID 126469585

IUPACN-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NCC(C)(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-5-9-7-20-13-15-6-10(12(19)17(9)13)11(18)16-8-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,18)
InChIKeyMCDHSWSRBHOVAJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.09
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469585) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469585
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)NCC(C)(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-5-9-7-20-13-15-6-10(12(19)17(9)13)11(18)16-8-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,18)
InChIKeyMCDHSWSRBHOVAJ-UHFFFAOYSA-N
XLogP2.09
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469585) is N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1csc2ncc(C(=O)NCC(C)(C)C)c(=O)n12.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MCDHSWSRBHOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-9-7-20-13-15-6-10(12(19)17(9)13)11(18)16-8-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,18).
What are the key properties of N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).