N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C12H22N2S — CID 82438190

IUPACN-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1scnc1C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-9(2)6-13-7-10-11(12(3,4)5)14-8-15-10/h8-9,13H,6-7H2,1-5H3
InChIKeyMVCORRIYJJMLLU-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.19
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82438190) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID82438190
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1scnc1C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-9(2)6-13-7-10-11(12(3,4)5)14-8-15-10/h8-9,13H,6-7H2,1-5H3
InChIKeyMVCORRIYJJMLLU-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82439255
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639
2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115667007
N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368513
2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102641549
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
CID 82438233
2-methyl-N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107381426
4,5-ditert-butyl-1,3-thiazole
CID 58980037
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 82438190) is N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1scnc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is MVCORRIYJJMLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)6-13-7-10-11(12(3,4)5)14-8-15-10/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82438190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).