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

C9H16N2S — CID 62928439

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)(C)c1nc(CCN)cs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)8-11-7(4-5-10)6-12-8/h6H,4-5,10H2,1-3H3
InChIKeyBFPJCSLSQJEZMP-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.94
Rot. Bonds2

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

2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 62928439) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine
PubChem CID62928439
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)(C)c1nc(CCN)cs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)8-11-7(4-5-10)6-12-8/h6H,4-5,10H2,1-3H3
InChIKeyBFPJCSLSQJEZMP-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(beta-Aminoethyl)thiazole
CID 192849
4-Ethyl-2-propylthiazole
CID 521078
2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
CID 4274577
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
2-(4-Cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine
CID 5207560
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
CID 12150004
3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 15034992

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine (CID 62928439) is 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine is CC(C)(C)c1nc(CCN)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is BFPJCSLSQJEZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)8-11-7(4-5-10)6-12-8/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine?
2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 184.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 62928439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).