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

C8H14N2OS2 — CID 54106695

IUPAC3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCN(C)CCCn1c(O)csc1=S
InChIInChI=1S/C8H14N2OS2/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h6,11H,3-5H2,1-2H3
InChIKeyNEGAEHVIKNWKID-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.94
Rot. Bonds4

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

3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54106695) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54106695
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCN(C)CCCn1c(O)csc1=S
InChIInChI=1S/C8H14N2OS2/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h6,11H,3-5H2,1-2H3
InChIKeyNEGAEHVIKNWKID-UHFFFAOYSA-N
XLogP1.94
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.94
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

3-Butyl-4-hydroxy-1,3-thiazole-2-thione
CID 54000641
3-Ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 54009528
4-Hydroxy-3-propyl-1,3-thiazole-2-thione
CID 53869427
4-Hydroxy-3-propan-2-yl-1,3-thiazole-2-thione
CID 91227797

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione (CID 54106695) is 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione is CN(C)CCCn1c(O)csc1=S.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is NEGAEHVIKNWKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-9(2)4-3-5-10-7(11)6-13-8(10)12/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione?
3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 218.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54106695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).