1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine

C13H25N3OS — CID 105168099

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1snnc1C(C)(C)C
InChIInChI=1S/C13H25N3OS/c1-7-14-10(8-17-9(2)3)11-12(13(4,5)6)15-16-18-11/h9-10,14H,7-8H2,1-6H3
InChIKeyMTWUGLHQOXNFBG-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine

1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 105168099) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID105168099
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1snnc1C(C)(C)C
InChIInChI=1S/C13H25N3OS/c1-7-14-10(8-17-9(2)3)11-12(13(4,5)6)15-16-18-11/h9-10,14H,7-8H2,1-6H3
InChIKeyMTWUGLHQOXNFBG-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine 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

N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149972
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096903
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013350

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine (CID 105168099) is 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is MTWUGLHQOXNFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-7-14-10(8-17-9(2)3)11-12(13(4,5)6)15-16-18-11/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 271.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105168099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).