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

C17H33N3S — CID 62436229

IUPACN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C17H33N3S/c1-7-14(8-2)11-20(9-3)12-15-13-21-16(19-15)10-18-17(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyKDUVYIRJRBJERJ-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.29
Rot. Bonds9

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

N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine (PubChem CID 62436229) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine
PubChem CID62436229
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC NameN-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C17H33N3S/c1-7-14(8-2)11-20(9-3)12-15-13-21-16(19-15)10-18-17(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyKDUVYIRJRBJERJ-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55074027
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62427454
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62430946
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424646
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine (CID 62436229) is N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)Cc1csc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine?
The InChIKey is KDUVYIRJRBJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-7-14(8-2)11-20(9-3)12-15-13-21-16(19-15)10-18-17(4,5)6/h13-14,18H,7-12H2,1-6H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine?
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-diethylbutan-1-amine has a molecular weight of 311.54 g/mol, XLogP of 4.29, 9 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-diethylbutan-1-amine is sourced from PubChem (CID 62436229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).