1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine

C13H24N2S — CID 62952140

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-12(2,3)7-9(14)11-15-10(8-16-11)13(4,5)6/h8-9H,7,14H2,1-6H3
InChIKeyVDECGQXZRSAREK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.88
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 62952140) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID62952140
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-12(2,3)7-9(14)11-15-10(8-16-11)13(4,5)6/h8-9H,7,14H2,1-6H3
InChIKeyVDECGQXZRSAREK-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
CID 61332859
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 106676094
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine (CID 62952140) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)CC(N)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is VDECGQXZRSAREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-12(2,3)7-9(14)11-15-10(8-16-11)13(4,5)6/h8-9H,7,14H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62952140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).