N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C12H21N3S — CID 65271632

IUPACN-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCC2CCCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-11-14-12(16-15-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyPZWBFPQRPKSQHC-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.48
Rot. Bonds5

About N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271632) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65271632
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCC2CCCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-11-14-12(16-15-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyPZWBFPQRPKSQHC-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclohexylethyl)-3-ethyl-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-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648019
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65271632) is N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCC2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PZWBFPQRPKSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-11-14-12(16-15-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14,15).
What are the key properties of N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).