4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine

C11H24N2S2 — CID 143105883

IUPAC4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine
SMILESCC.CC(c1cscn1)C(C)(C)C.NS
InChIInChI=1S/C9H15NS.C2H6.H3NS/c1-7(9(2,3)4)8-5-11-6-10-8;2*1-2/h5-7H,1-4H3;1-2H3;2H,1H2
InChIKeyGGNPMQGBTRQWCN-UHFFFAOYSA-N
MW248.46 g/mol
LogP4.11
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine

4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine (PubChem CID 143105883) has the molecular formula C11H24N2S2 and a molecular weight of 248.46 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine
PubChem CID143105883
Molecular FormulaC11H24N2S2
Molecular Weight248.46 g/mol
Exact Mass248.14
IUPAC Name4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine
SMILESCC.CC(c1cscn1)C(C)(C)C.NS
InChIInChI=1S/C9H15NS.C2H6.H3NS/c1-7(9(2,3)4)8-5-11-6-10-8;2*1-2/h5-7H,1-4H3;1-2H3;2H,1H2
InChIKeyGGNPMQGBTRQWCN-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
CID 58051737
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
N-tert-butylsulfanyl-1-(1,3-thiazol-4-yl)ethanamine
CID 155231694
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
1,3-thiazol-4-ylmethanediol
CID 59870088
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
CID 131156691
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine (CID 143105883) is 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine is CC.CC(c1cscn1)C(C)(C)C.NS.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine?
The InChIKey is GGNPMQGBTRQWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C2H6.H3NS/c1-7(9(2,3)4)8-5-11-6-10-8;2*1-2/h5-7H,1-4H3;1-2H3;2H,1H2.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine?
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine has a molecular weight of 248.46 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine is sourced from PubChem (CID 143105883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).