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

C11H19N3S — CID 107647731

IUPACN-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyAEKAYJSLRXYAMM-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.09
Rot. Bonds4

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

N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647731) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647731
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyAEKAYJSLRXYAMM-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
5-tert-butyl-N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 172436004
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 103731084
N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924771
N-[(1-methylsulfanylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105825252
5-(2-methylpropyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260354
5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260496
5-(2-methylpropyl)-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 106261063
5-(2-methylpropyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106261099
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107647933
5-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107647934
5-ethyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107648178

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647731) is N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AEKAYJSLRXYAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).