2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

C12H22N2S — CID 82069481

IUPAC2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCC(C)c1nc(C(C)(C)C)c(CCN)s1
InChIInChI=1S/C12H22N2S/c1-8(2)11-14-10(12(3,4)5)9(15-11)6-7-13/h8H,6-7,13H2,1-5H3
InChIKeyLGWKQUJLIDKKCO-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82069481) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID82069481
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCC(C)c1nc(C(C)(C)C)c(CCN)s1
InChIInChI=1S/C12H22N2S/c1-8(2)11-14-10(12(3,4)5)9(15-11)6-7-13/h8H,6-7,13H2,1-5H3
InChIKeyLGWKQUJLIDKKCO-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82438371
2-[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 82069465
5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 163663942
2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116730876
ethane;5-ethyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 170954196
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (CID 82069481) is 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is CC(C)c1nc(C(C)(C)C)c(CCN)s1.
What is the InChIKey of 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is LGWKQUJLIDKKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8(2)11-14-10(12(3,4)5)9(15-11)6-7-13/h8H,6-7,13H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 226.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82069481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).