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

C12H21N3S — CID 107647857

IUPACN-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCCCC2(C)C)s1
InChIInChI=1S/C12H21N3S/c1-4-10-14-15-11(16-10)13-9-7-5-6-8-12(9,2)3/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyACVHHCJCBYTLCP-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.48
Rot. Bonds3

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

N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647857) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647857
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCCCC2(C)C)s1
InChIInChI=1S/C12H21N3S/c1-4-10-14-15-11(16-10)13-9-7-5-6-8-12(9,2)3/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyACVHHCJCBYTLCP-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 79873409
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
N-(4,4-dimethylcycloheptyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647699
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647648
5-ethyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107647698
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647994
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648198
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473146
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 103787170
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647857) is N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCCCC2(C)C)s1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ACVHHCJCBYTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-10-14-15-11(16-10)13-9-7-5-6-8-12(9,2)3/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.48, 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)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).