2-nitroso-2-(1,3-thiazol-2-yl)acetic acid

C5H4N2O3S — CID 19867519

IUPAC2-nitroso-2-(1,3-thiazol-2-yl)acetic acid
SMILESO=NC(C(=O)O)c1nccs1
InChIInChI=1S/C5H4N2O3S/c8-5(9)3(7-10)4-6-1-2-11-4/h1-3H,(H,8,9)
InChIKeyGKOGMQZGGAWPJR-UHFFFAOYSA-N
MW172.17 g/mol
LogP1.04
Rot. Bonds3

About 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid

2-nitroso-2-(1,3-thiazol-2-yl)acetic acid (PubChem CID 19867519) has the molecular formula C5H4N2O3S and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-nitroso-2-(1,3-thiazol-2-yl)acetic acid
PubChem CID19867519
Molecular FormulaC5H4N2O3S
Molecular Weight172.17 g/mol
Exact Mass171.99
IUPAC Name2-nitroso-2-(1,3-thiazol-2-yl)acetic acid
SMILESO=NC(C(=O)O)c1nccs1
InChIInChI=1S/C5H4N2O3S/c8-5(9)3(7-10)4-6-1-2-11-4/h1-3H,(H,8,9)
InChIKeyGKOGMQZGGAWPJR-UHFFFAOYSA-N
XLogP1.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid (CID 19867519) is 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid is O=NC(C(=O)O)c1nccs1.
What is the InChIKey of 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid?
The InChIKey is GKOGMQZGGAWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3S/c8-5(9)3(7-10)4-6-1-2-11-4/h1-3H,(H,8,9).
What are the key properties of 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid?
2-nitroso-2-(1,3-thiazol-2-yl)acetic acid has a molecular weight of 172.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-2-(1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 19867519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).