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

C12H15N3O4S — CID 43170409

IUPAC3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C12H15N3O4S/c1-6(2)8(11(18)19)14-9(16)7-5-13-12-15(10(7)17)3-4-20-12/h5-6,8H,3-4H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyIBDPGWRQAJYEOJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.19
Rot. Bonds4

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

3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43170409) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43170409
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C12H15N3O4S/c1-6(2)8(11(18)19)14-9(16)7-5-13-12-15(10(7)17)3-4-20-12/h5-6,8H,3-4H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyIBDPGWRQAJYEOJ-UHFFFAOYSA-N
XLogP0.19
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid 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 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43170409) is 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O.
What is the InChIKey of 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is IBDPGWRQAJYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-6(2)8(11(18)19)14-9(16)7-5-13-12-15(10(7)17)3-4-20-12/h5-6,8H,3-4H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).