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

C14H19N3O3S — CID 126469425

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n2c1C
InChIInChI=1S/C14H19N3O3S/c1-7(2)11(6-18)16-12(19)10-5-15-14-17(13(10)20)8(3)9(4)21-14/h5,7,11,18H,6H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyQAYHBUJUQXJYBY-LLVKDONJSA-N
MW309.39 g/mol
LogP1.12
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469425) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469425
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n2c1C
InChIInChI=1S/C14H19N3O3S/c1-7(2)11(6-18)16-12(19)10-5-15-14-17(13(10)20)8(3)9(4)21-14/h5,7,11,18H,6H2,1-4H3,(H,16,19)/t11-/m1/s1
InChIKeyQAYHBUJUQXJYBY-LLVKDONJSA-N
XLogP1.12
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469425) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n2c1C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QAYHBUJUQXJYBY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-7(2)11(6-18)16-12(19)10-5-15-14-17(13(10)20)8(3)9(4)21-14/h5,7,11,18H,6H2,1-4H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).