N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine

C11H17N3S — CID 107648149

IUPACN-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CC=CCC2)s1
InChIInChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,12,14)
InChIKeyWWGBJWQFJVBXKH-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.87
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648149) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648149
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CC=CCC2)s1
InChIInChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,12,14)
InChIKeyWWGBJWQFJVBXKH-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648149) is N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CC=CCC2)s1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WWGBJWQFJVBXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H,12,14).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).