N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine

C12H21N3S — CID 107647648

IUPACN-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2C(C)CCCC2C)s1
InChIInChI=1S/C12H21N3S/c1-4-10-14-15-12(16-10)13-11-8(2)6-5-7-9(11)3/h8-9,11H,4-7H2,1-3H3,(H,13,15)
InChIKeyWIKLGBIVXKJDQZ-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.34
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647648) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647648
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2C(C)CCCC2C)s1
InChIInChI=1S/C12H21N3S/c1-4-10-14-15-12(16-10)13-11-8(2)6-5-7-9(11)3/h8-9,11H,4-7H2,1-3H3,(H,13,15)
InChIKeyWIKLGBIVXKJDQZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107647698
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648069
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647994
5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
CID 107647863
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647773
N-(4,4-dimethylcycloheptyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647699
N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647857
N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807
5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647759

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647648) is N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2C(C)CCCC2C)s1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WIKLGBIVXKJDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-10-14-15-12(16-10)13-11-8(2)6-5-7-9(11)3/h8-9,11H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).