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

C12H21N3S — CID 107648019

IUPACN-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCCC2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-2-11-14-15-12(16-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyHYGLEJNUFCJEOM-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.48
Rot. Bonds5

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

N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648019) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648019
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCCC2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-2-11-14-15-12(16-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyHYGLEJNUFCJEOM-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107647794
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 107647799
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647956
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625135
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64982714
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648019) is N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCCC2CCCCC2)s1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HYGLEJNUFCJEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-11-14-15-12(16-11)13-9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).