3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine

C15H28N4S — CID 133495070

IUPAC3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)CC1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C15H28N4S/c1-15(2,3)13-17-14(20-18-13)16-12-8-6-11(7-9-12)10-19(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyOHASTFQYPWXVSP-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.37
Rot. Bonds4

About 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133495070) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
PubChem CID133495070
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)CC1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C15H28N4S/c1-15(2,3)13-17-14(20-18-13)16-12-8-6-11(7-9-12)10-19(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyOHASTFQYPWXVSP-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine 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

4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
CID 79085318
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
3-tert-butyl-N-[(3-chlorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 66006089
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270882
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 86801703
N-[2-(4-aminocyclohexyl)oxyethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65276168
3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 114504855
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 65270947

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine (CID 133495070) is 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine is CN(C)CC1CCC(Nc2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OHASTFQYPWXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-15(2,3)13-17-14(20-18-13)16-12-8-6-11(7-9-12)10-19(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 296.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133495070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).