1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine

C10H18N2S — CID 64543263

IUPAC1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2S/c1-7(11)8-6-13-9(12-8)5-10(2,3)4/h6-7H,5,11H2,1-4H3
InChIKeyHUWXYMIEYOFLKW-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.75
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543263) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543263
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2S/c1-7(11)8-6-13-9(12-8)5-10(2,3)4/h6-7H,5,11H2,1-4H3
InChIKeyHUWXYMIEYOFLKW-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-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

2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
(4-Tert-butyl-1,3-thiazol-2-yl)methanamine
CID 4274577
1-(4-Tert-butyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4016996
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 18184162
1-(1,3-Thiazol-4-yl)ethan-1-amine
CID 18612358
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
(4-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24261648
2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine
CID 25219193
1-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine
CID 45121661
2-(2-Tert-butyl-1,3-thiazol-4-yl)ethan-1-amine
CID 62928439
1-(2-Methyl-1,3-thiazol-4-yl)ethane-1,2-diamine dihydrochloride
CID 71758438

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine (CID 64543263) is 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(CC(C)(C)C)n1.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is HUWXYMIEYOFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(11)8-6-13-9(12-8)5-10(2,3)4/h6-7H,5,11H2,1-4H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 198.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).