methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate

C11H13N3O4S — CID 47337619

IUPACmethyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h5-6H,3-4H2,1-2H3,(H,13,15)/t6-/m0/s1
InChIKeyRBQFPFXEUOPRIA-LURJTMIESA-N
MW283.31 g/mol
LogP-0.36
Rot. Bonds3

About methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate

methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 47337619) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
PubChem CID47337619
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Namemethyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h5-6H,3-4H2,1-2H3,(H,13,15)/t6-/m0/s1
InChIKeyRBQFPFXEUOPRIA-LURJTMIESA-N
XLogP-0.36
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate 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 methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (CID 47337619) is methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is RBQFPFXEUOPRIA-LURJTMIESA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h5-6H,3-4H2,1-2H3,(H,13,15)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 283.31 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 47337619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).