N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

C12H21N3S2 — CID 64735978

IUPACN-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1nncs1
InChIInChI=1S/C12H21N3S2/c1-4-13-10-6-8(2)5-9(3)11(10)17-12-15-14-7-16-12/h7-11,13H,4-6H2,1-3H3
InChIKeyFYMPUSVZTMXKIM-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64735978) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64735978
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1nncs1
InChIInChI=1S/C12H21N3S2/c1-4-13-10-6-8(2)5-9(3)11(10)17-12-15-14-7-16-12/h7-11,13H,4-6H2,1-3H3
InChIKeyFYMPUSVZTMXKIM-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-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

N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
3-[2-(ethylamino)-4,6-dimethylcyclohexyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64737164
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648995
3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64735982
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64735986
4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64649388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64735978) is N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1nncs1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is FYMPUSVZTMXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-4-13-10-6-8(2)5-9(3)11(10)17-12-15-14-7-16-12/h7-11,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64735978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).