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

C10H9N3O4S — CID 43354782

IUPAC3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9N3O4S/c14-7(15)1-2-11-8(16)6-5-12-10-13(9(6)17)3-4-18-10/h3-5H,1-2H2,(H,11,16)(H,14,15)
InChIKeyCIDSVXJQMJPNAZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.04
Rot. Bonds4

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

3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 43354782) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID43354782
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9N3O4S/c14-7(15)1-2-11-8(16)6-5-12-10-13(9(6)17)3-4-18-10/h3-5H,1-2H2,(H,11,16)(H,14,15)
InChIKeyCIDSVXJQMJPNAZ-UHFFFAOYSA-N
XLogP-0.04
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 104857204
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-(tert-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4389947
n-Allyl-5-oxo-5h-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598741
N-butyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248280
N-isobutyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248281
N-(sec-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248282

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 43354782) is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is CIDSVXJQMJPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-7(15)1-2-11-8(16)6-5-12-10-13(9(6)17)3-4-18-10/h3-5H,1-2H2,(H,11,16)(H,14,15).
What are the key properties of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid?
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 267.27 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).