N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C12H22N2S — CID 63717618

IUPACN-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C12H22N2S/c1-5-10(4)12-14-8-11(15-12)7-13-6-9(2)3/h8-10,13H,5-7H2,1-4H3
InChIKeyJYAAKOQXOCLURU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.40
Rot. Bonds6

About N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63717618) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID63717618
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C12H22N2S/c1-5-10(4)12-14-8-11(15-12)7-13-6-9(2)3/h8-10,13H,5-7H2,1-4H3
InChIKeyJYAAKOQXOCLURU-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102746189
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 63717618) is N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CCC(C)c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JYAAKOQXOCLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-10(4)12-14-8-11(15-12)7-13-6-9(2)3/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63717618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).