2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine

C11H20N2S — CID 79016300

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H20N2S/c1-5-12-7-6-10-13-9(8-14-10)11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeySBUCCMBOLNDDGF-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine (PubChem CID 79016300) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
PubChem CID79016300
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H20N2S/c1-5-12-7-6-10-13-9(8-14-10)11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeySBUCCMBOLNDDGF-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 119123789
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylphenyl]methyl]ethanamine
CID 105409171
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
1-butan-2-yl-3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111545331
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111548101
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-chloropentan-1-amine
CID 107319889

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine (CID 79016300) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine is CCNCCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The InChIKey is SBUCCMBOLNDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-12-7-6-10-13-9(8-14-10)11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine has a molecular weight of 212.36 g/mol, XLogP of 2.59, 4 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)-N-ethylethanamine is sourced from PubChem (CID 79016300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).