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

C13H17N3O4S — CID 65218365

IUPAC2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h7-8H,2-6H2,1H3,(H,14,17)(H,19,20)
InChIKeyMZMFGWMBJFMPOG-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.58
Rot. Bonds6

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

2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218365) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218365
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h7-8H,2-6H2,1H3,(H,14,17)(H,19,20)
InChIKeyMZMFGWMBJFMPOG-UHFFFAOYSA-N
XLogP0.58
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid (CID 65218365) is 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cnc2n(c1=O)CCS2)C(=O)O.
What is the InChIKey of 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is MZMFGWMBJFMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h7-8H,2-6H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 311.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).