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

C16H30N2S — CID 83159298

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C
InChIInChI=1S/C16H30N2S/c1-8-17-11-16(7,12(2)3)9-14-18-13(10-19-14)15(4,5)6/h10,12,17H,8-9,11H2,1-7H3
InChIKeySBZFNKSWDIYFTB-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.25
Rot. Bonds6

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

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83159298) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83159298
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C
InChIInChI=1S/C16H30N2S/c1-8-17-11-16(7,12(2)3)9-14-18-13(10-19-14)15(4,5)6/h10,12,17H,8-9,11H2,1-7H3
InChIKeySBZFNKSWDIYFTB-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150871
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115401016
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
CID 105409171
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149488
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (CID 83159298) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is SBZFNKSWDIYFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-8-17-11-16(7,12(2)3)9-14-18-13(10-19-14)15(4,5)6/h10,12,17H,8-9,11H2,1-7H3.
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 4.25, 6 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)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83159298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).