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

C12H22N2S — CID 61332933

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
SMILESCCC(C)(NC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-7-12(5,13-6)10-14-9(8-15-10)11(2,3)4/h8,13H,7H2,1-6H3
InChIKeyBADJKKFRYPIVDS-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.29
Rot. Bonds3

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine (PubChem CID 61332933) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
PubChem CID61332933
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
SMILESCCC(C)(NC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-7-12(5,13-6)10-14-9(8-15-10)11(2,3)4/h8,13H,7H2,1-6H3
InChIKeyBADJKKFRYPIVDS-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
CID 114832560
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
CID 62534931
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
CID 80558537
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097442
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
CID 62634123
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine (CID 61332933) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine is CCC(C)(NC)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine?
The InChIKey is BADJKKFRYPIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-7-12(5,13-6)10-14-9(8-15-10)11(2,3)4/h8,13H,7H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 61332933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).