3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione

C5H8N2OS2 — CID 54016900

IUPAC3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione
SMILESCN(C)n1c(O)csc1=S
InChIInChI=1S/C5H8N2OS2/c1-6(2)7-4(8)3-10-5(7)9/h3,8H,1-2H3
InChIKeyKWGICEFBXFIANQ-UHFFFAOYSA-N
MW176.27 g/mol
LogP1.18
Rot. Bonds1

About 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione

3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54016900) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54016900
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione
SMILESCN(C)n1c(O)csc1=S
InChIInChI=1S/C5H8N2OS2/c1-6(2)7-4(8)3-10-5(7)9/h3,8H,1-2H3
InChIKeyKWGICEFBXFIANQ-UHFFFAOYSA-N
XLogP1.18
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazole-2-thione
CID 53925009
3-Ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 54009528
4-Hydroxy-3-propyl-1,3-thiazole-2-thione
CID 53869427
(3-Methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium
CID 143254972

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione (CID 54016900) is 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione is CN(C)n1c(O)csc1=S.
What is the InChIKey of 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is KWGICEFBXFIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-6(2)7-4(8)3-10-5(7)9/h3,8H,1-2H3.
What are the key properties of 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione?
3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 176.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54016900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).