N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine

C15H29N3S — CID 62461729

IUPACN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1csc(CNC(C)(C)C)n1)CC(C)(C)C
InChIInChI=1S/C15H29N3S/c1-14(2,3)11-18(7)9-12-10-19-13(17-12)8-16-15(4,5)6/h10,16H,8-9,11H2,1-7H3
InChIKeyCLBKNMABBSGERD-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.51
Rot. Bonds5

About N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine

N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 62461729) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
PubChem CID62461729
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1csc(CNC(C)(C)C)n1)CC(C)(C)C
InChIInChI=1S/C15H29N3S/c1-14(2,3)11-18(7)9-12-10-19-13(17-12)8-16-15(4,5)6/h10,16H,8-9,11H2,1-7H3
InChIKeyCLBKNMABBSGERD-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine with MolForge

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Related Compounds

N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63208878
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424646
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 106906368
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55074027
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine
CID 62436229
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine (CID 62461729) is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine is CN(Cc1csc(CNC(C)(C)C)n1)CC(C)(C)C.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is CLBKNMABBSGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-14(2,3)11-18(7)9-12-10-19-13(17-12)8-16-15(4,5)6/h10,16H,8-9,11H2,1-7H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine?
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 62461729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).