2-sulfanylacetic acid;1,3-thiazol-5-amine

C5H8N2O2S2 — CID 157461995

IUPAC2-sulfanylacetic acid;1,3-thiazol-5-amine
SMILESNc1cncs1.O=C(O)CS
InChIInChI=1S/C3H4N2S.C2H4O2S/c4-3-1-5-2-6-3;3-2(4)1-5/h1-2H,4H2;5H,1H2,(H,3,4)
InChIKeyBUAMRBCUSCQNJM-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.73
Rot. Bonds1

About 2-sulfanylacetic acid;1,3-thiazol-5-amine

2-sulfanylacetic acid;1,3-thiazol-5-amine (PubChem CID 157461995) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-sulfanylacetic acid;1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-sulfanylacetic acid;1,3-thiazol-5-amine
PubChem CID157461995
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Name2-sulfanylacetic acid;1,3-thiazol-5-amine
SMILESNc1cncs1.O=C(O)CS
InChIInChI=1S/C3H4N2S.C2H4O2S/c4-3-1-5-2-6-3;3-2(4)1-5/h1-2H,4H2;5H,1H2,(H,3,4)
InChIKeyBUAMRBCUSCQNJM-UHFFFAOYSA-N
XLogP0.73
TPSA76.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;1,3-thiazol-5-amine?
The IUPAC name of 2-sulfanylacetic acid;1,3-thiazol-5-amine (CID 157461995) is 2-sulfanylacetic acid;1,3-thiazol-5-amine.
What is the SMILES notation for 2-sulfanylacetic acid;1,3-thiazol-5-amine?
The canonical SMILES for 2-sulfanylacetic acid;1,3-thiazol-5-amine is Nc1cncs1.O=C(O)CS.
What is the InChIKey of 2-sulfanylacetic acid;1,3-thiazol-5-amine?
The InChIKey is BUAMRBCUSCQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.C2H4O2S/c4-3-1-5-2-6-3;3-2(4)1-5/h1-2H,4H2;5H,1H2,(H,3,4).
What are the key properties of 2-sulfanylacetic acid;1,3-thiazol-5-amine?
2-sulfanylacetic acid;1,3-thiazol-5-amine has a molecular weight of 192.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;1,3-thiazol-5-amine is sourced from PubChem (CID 157461995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).