2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid

C5H5N3O4S — CID 83380912

IUPAC2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O4S/c9-4(10)2-7-5-6-1-3(13-5)8(11)12/h1H,2H2,(H,6,7)(H,9,10)
InChIKeyKVMPWNFIUFGVEW-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.55
Rot. Bonds4

About 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid

2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 83380912) has the molecular formula C5H5N3O4S and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID83380912
Molecular FormulaC5H5N3O4S
Molecular Weight203.18 g/mol
Exact Mass203.00
IUPAC Name2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O4S/c9-4(10)2-7-5-6-1-3(13-5)8(11)12/h1H,2H2,(H,6,7)(H,9,10)
InChIKeyKVMPWNFIUFGVEW-UHFFFAOYSA-N
XLogP0.55
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid (CID 83380912) is 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid is O=C(O)CNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is KVMPWNFIUFGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4S/c9-4(10)2-7-5-6-1-3(13-5)8(11)12/h1H,2H2,(H,6,7)(H,9,10).
What are the key properties of 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid?
2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 203.18 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 83380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).