(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine

C15H27N3S — CID 105154427

IUPAC(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2snnc2C(C)(C)C)CC1C
InChIInChI=1S/C15H27N3S/c1-9-6-7-11(8-10(9)2)12(16)13-14(15(3,4)5)17-18-19-13/h9-12H,6-8,16H2,1-5H3
InChIKeyYEDQLFKRPGGOPE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.91
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine

(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 105154427) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID105154427
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2snnc2C(C)(C)C)CC1C
InChIInChI=1S/C15H27N3S/c1-9-6-7-11(8-10(9)2)12(16)13-14(15(3,4)5)17-18-19-13/h9-12H,6-8,16H2,1-5H3
InChIKeyYEDQLFKRPGGOPE-UHFFFAOYSA-N
XLogP3.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine 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

(3,4-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154428
1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
CID 105152767
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
(3-methylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105155822
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105154535
(3,5-dimethylcyclohexyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105154182
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine (CID 105154427) is (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine is CC1CCC(C(N)c2snnc2C(C)(C)C)CC1C.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is YEDQLFKRPGGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-9-6-7-11(8-10(9)2)12(16)13-14(15(3,4)5)17-18-19-13/h9-12H,6-8,16H2,1-5H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 105154427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).