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

C9H16N2S — CID 82438233

IUPAC1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1scnc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-6(10)7-8(9(2,3)4)11-5-12-7/h5-6H,10H2,1-4H3
InChIKeyNAFAWEIOWHYCFG-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.46
Rot. Bonds1

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

1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82438233) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
PubChem CID82438233
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1scnc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-6(10)7-8(9(2,3)4)11-5-12-7/h5-6H,10H2,1-4H3
InChIKeyNAFAWEIOWHYCFG-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-ditert-butyl-1,3-thiazole
CID 58980037
N-[(4-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82438190
1-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83846933
4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438221
4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole
CID 171539042
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82438755
1-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263917
7-tert-butyl-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 138624186
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111577113
1-(3-iodothiophen-2-yl)ethanamine
CID 130160720

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine (CID 82438233) is 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine is CC(N)c1scnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is NAFAWEIOWHYCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(10)7-8(9(2,3)4)11-5-12-7/h5-6H,10H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine?
1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82438233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).