1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine

C14H25N3S — CID 105135537

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)c1nnsc1C(N)CC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-14(2,3)13-12(18-17-16-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3
InChIKeyHNMQOAIBQVFGRI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine (PubChem CID 105135537) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
PubChem CID105135537
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)c1nnsc1C(N)CC1CCCCC1
InChIInChI=1S/C14H25N3S/c1-14(2,3)13-12(18-17-16-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3
InChIKeyHNMQOAIBQVFGRI-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine 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

1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
CID 105152767
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560
2-cyclobutyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105151524
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
CID 114457765
1-(4-tert-butylthiadiazol-5-yl)hex-4-yn-1-amine
CID 105181379
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
CID 105154427
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
CID 114264506

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine (CID 105135537) is 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine is CC(C)(C)c1nnsc1C(N)CC1CCCCC1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine?
The InChIKey is HNMQOAIBQVFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,3)13-12(18-17-16-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine is sourced from PubChem (CID 105135537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).