2-amino-1,3-thiazole-5-thiol

C3H4N2S2 — CID 18751508

IUPAC2-amino-1,3-thiazole-5-thiol
SMILESNc1ncc(S)s1
InChIInChI=1S/C3H4N2S2/c4-3-5-1-2(6)7-3/h1,6H,(H2,4,5)
InChIKeyXGHDXIZGBCLSRG-UHFFFAOYSA-N
MW132.21 g/mol
LogP1.01
Rot. Bonds

About 2-amino-1,3-thiazole-5-thiol

2-amino-1,3-thiazole-5-thiol (PubChem CID 18751508) has the molecular formula C3H4N2S2 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-thiol
PubChem CID18751508
Molecular FormulaC3H4N2S2
Molecular Weight132.21 g/mol
Exact Mass131.98
IUPAC Name2-amino-1,3-thiazole-5-thiol
SMILESNc1ncc(S)s1
InChIInChI=1S/C3H4N2S2/c4-3-5-1-2(6)7-3/h1,6H,(H2,4,5)
InChIKeyXGHDXIZGBCLSRG-UHFFFAOYSA-N
XLogP1.01
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiazole
CID 2155
2-Amino-5-chlorothiazole
CID 38942
2-Thiazolamine, 5-bromo-
CID 43600
[(2-Amino-1,3-thiazol-5-yl)sulfanyl]formonitrile
CID 3109677
2-Aminothiazole-5-sulfonic acid
CID 2829719
5-Bromothiazol-2-amine monohydrobromide
CID 2723848
2-Amino-5-chlorothiazole hydrochloride
CID 148743
5-Fluoro-1,3-thiazol-2-amine
CID 10080385
5-Fluoro-1,3-thiazol-2-amine hydrochloride
CID 11858931
2-Aminothiazole-5-sulfonamide
CID 21957433
5-Bromo-1,3-thiazol-2-amine--hydrogen chloride (1/1)
CID 22170392
2-Aminothiazole hydrochloride
CID 80239

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-thiol?
The IUPAC name of 2-amino-1,3-thiazole-5-thiol (CID 18751508) is 2-amino-1,3-thiazole-5-thiol.
What is the SMILES notation for 2-amino-1,3-thiazole-5-thiol?
The canonical SMILES for 2-amino-1,3-thiazole-5-thiol is Nc1ncc(S)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-thiol?
The InChIKey is XGHDXIZGBCLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2/c4-3-5-1-2(6)7-3/h1,6H,(H2,4,5).
What are the key properties of 2-amino-1,3-thiazole-5-thiol?
2-amino-1,3-thiazole-5-thiol has a molecular weight of 132.21 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-thiol is sourced from PubChem (CID 18751508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).