2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid

C14H15N3O4S — CID 166277210

IUPAC2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid
SMILESCCCN(C(=O)c1cccn(CC(=O)O)c1=O)c1nccs1
InChIInChI=1S/C14H15N3O4S/c1-2-6-17(14-15-5-8-22-14)13(21)10-4-3-7-16(12(10)20)9-11(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)
InChIKeyGOFDQBDQDVZDOQ-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.45
Rot. Bonds6

About 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid

2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid (PubChem CID 166277210) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid
PubChem CID166277210
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid
SMILESCCCN(C(=O)c1cccn(CC(=O)O)c1=O)c1nccs1
InChIInChI=1S/C14H15N3O4S/c1-2-6-17(14-15-5-8-22-14)13(21)10-4-3-7-16(12(10)20)9-11(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,18,19)
InChIKeyGOFDQBDQDVZDOQ-UHFFFAOYSA-N
XLogP1.45
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid (CID 166277210) is 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid is CCCN(C(=O)c1cccn(CC(=O)O)c1=O)c1nccs1.
What is the InChIKey of 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid?
The InChIKey is GOFDQBDQDVZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-2-6-17(14-15-5-8-22-14)13(21)10-4-3-7-16(12(10)20)9-11(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,18,19).
What are the key properties of 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid?
2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid has a molecular weight of 321.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid is sourced from PubChem (CID 166277210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).