4-(3,3-dimethylbutan-2-yl)-1,3-thiazole

C9H15NS — CID 58051737

IUPAC4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
SMILESCC(c1cscn1)C(C)(C)C
InChIInChI=1S/C9H15NS/c1-7(9(2,3)4)8-5-11-6-10-8/h5-7H,1-4H3
InChIKeyIWCDBYKBABBTFL-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.29
Rot. Bonds1

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

4-(3,3-dimethylbutan-2-yl)-1,3-thiazole (PubChem CID 58051737) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
PubChem CID58051737
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-(3,3-dimethylbutan-2-yl)-1,3-thiazole
SMILESCC(c1cscn1)C(C)(C)C
InChIInChI=1S/C9H15NS/c1-7(9(2,3)4)8-5-11-6-10-8/h5-7H,1-4H3
InChIKeyIWCDBYKBABBTFL-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylbutan-2-yl)-1,3-thiazole;ethane;thiohydroxylamine
CID 143105883
(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
(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
4-[(2S,3E,5E)-4,5-dichlorohepta-3,5-dien-2-yl]-1,3-thiazole
CID 163794224
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 83819523

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole (CID 58051737) is 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole is CC(c1cscn1)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole?
The InChIKey is IWCDBYKBABBTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(9(2,3)4)8-5-11-6-10-8/h5-7H,1-4H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole?
4-(3,3-dimethylbutan-2-yl)-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 58051737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).