2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C17H25N3S — CID 105136160

IUPAC2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3S/c1-11(2)15-16(21-20-19-15)14(18)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10,18H2,1-5H3
InChIKeyGATDJXBAKZZXMU-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.20
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105136160) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105136160
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3S/c1-11(2)15-16(21-20-19-15)14(18)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10,18H2,1-5H3
InChIKeyGATDJXBAKZZXMU-UHFFFAOYSA-N
XLogP4.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-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

2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105152360
[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105300446
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105137302
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105136160) is 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1nnsc1C(N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is GATDJXBAKZZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-11(2)15-16(21-20-19-15)14(18)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10,18H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 303.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105136160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).