N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C13H23N3S — CID 79870367

IUPACN-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)11-15-12(17-16-11)14-10-7-5-6-8-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyONFDEMXDXCAVKT-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.04
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 79870367) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID79870367
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)11-15-12(17-16-11)14-10-7-5-6-8-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyONFDEMXDXCAVKT-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 113251656
4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992701
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 79873409
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65471658
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
CID 133430381
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 124841051
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 83213695
N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647857

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 79870367) is N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCCCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ONFDEMXDXCAVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)11-15-12(17-16-11)14-10-7-5-6-8-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79870367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).