3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N3O3S — CID 126470710

IUPAC3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O3S/c1-4-9-7-21-14-15-5-10(13(20)17(9)14)12(19)16-11(6-18)8(2)3/h5,7-8,11,18H,4,6H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyUATNMVNQSMFFEJ-LLVKDONJSA-N
MW309.39 g/mol
LogP1.07
Rot. Bonds5

About 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470710) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470710
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O3S/c1-4-9-7-21-14-15-5-10(13(20)17(9)14)12(19)16-11(6-18)8(2)3/h5,7-8,11,18H,4,6H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyUATNMVNQSMFFEJ-LLVKDONJSA-N
XLogP1.07
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470710) is 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12.
What is the InChIKey of 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UATNMVNQSMFFEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-9-7-21-14-15-5-10(13(20)17(9)14)12(19)16-11(6-18)8(2)3/h5,7-8,11,18H,4,6H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).