2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid

C9H13N3O4S — CID 106382756

IUPAC2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c1-2-12(4-7(13)14)8(15)10-3-6-5-17-9(16)11-6/h5H,2-4H2,1H3,(H,10,15)(H,11,16)(H,13,14)
InChIKeyFSDRSADZZFQWNQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.05
Rot. Bonds5

About 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid

2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106382756) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106382756
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c1-2-12(4-7(13)14)8(15)10-3-6-5-17-9(16)11-6/h5H,2-4H2,1H3,(H,10,15)(H,11,16)(H,13,14)
InChIKeyFSDRSADZZFQWNQ-UHFFFAOYSA-N
XLogP0.05
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 106382756) is 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is FSDRSADZZFQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-12(4-7(13)14)8(15)10-3-6-5-17-9(16)11-6/h5H,2-4H2,1H3,(H,10,15)(H,11,16)(H,13,14).
What are the key properties of 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 259.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106382756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).