N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine

C15H25N3OS — CID 116782339

IUPACN-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC3CC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3OS/c1-4-19-15(9-7-14(2,3)8-10-15)12-17-13(20-18-12)16-11-5-6-11/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUJPPMIOJFFCKBP-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.94
Rot. Bonds5

About N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116782339) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID116782339
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC3CC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3OS/c1-4-19-15(9-7-14(2,3)8-10-15)12-17-13(20-18-12)16-11-5-6-11/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUJPPMIOJFFCKBP-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-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

3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782325
N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
CID 116782367
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 116782401
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938
[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116779554
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
(1R)-1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431253
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742957
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 116782339) is N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is CCOC1(c2nsc(NC3CC3)n2)CCC(C)(C)CC1.
What is the InChIKey of N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UJPPMIOJFFCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-19-15(9-7-14(2,3)8-10-15)12-17-13(20-18-12)16-11-5-6-11/h11H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 295.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).