2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid

C5H6N2O2S2 — CID 127020593

IUPAC2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(=S)[nH]1
InChIInChI=1S/C5H6N2O2S2/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9)
InChIKeyRBFFOFPYQDXNSY-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid

2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid (PubChem CID 127020593) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid
PubChem CID127020593
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1csc(=S)[nH]1
InChIInChI=1S/C5H6N2O2S2/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9)
InChIKeyRBFFOFPYQDXNSY-UHFFFAOYSA-N
XLogP0.89
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
CID 70407271
2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid
CID 15137536

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid (CID 127020593) is 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid is NC(C(=O)O)c1csc(=S)[nH]1.
What is the InChIKey of 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid?
The InChIKey is RBFFOFPYQDXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c6-3(4(8)9)2-1-11-5(10)7-2/h1,3H,6H2,(H,7,10)(H,8,9).
What are the key properties of 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid?
2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid has a molecular weight of 190.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 127020593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).