N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine

C12H21N3S — CID 65400592

IUPACN-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)ns1
InChIInChI=1S/C12H21N3S/c1-8(2)9-4-6-10(7-5-9)11-14-12(13-3)16-15-11/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRATOPZUDYSXNDI-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.51
Rot. Bonds3

About N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65400592) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65400592
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C2CCC(C(C)C)CC2)ns1
InChIInChI=1S/C12H21N3S/c1-8(2)9-4-6-10(7-5-9)11-14-12(13-3)16-15-11/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRATOPZUDYSXNDI-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(4-propan-2-ylcyclohexyl)-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-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65276177
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
CID 133394625
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65400592) is N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine is CNc1nc(C2CCC(C(C)C)CC2)ns1.
What is the InChIKey of N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RATOPZUDYSXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)9-4-6-10(7-5-9)11-14-12(13-3)16-15-11/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65400592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).