N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

C11H17N3S — CID 64982575

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCCCC2)s1
InChIInChI=1S/C11H17N3S/c1-9-13-14-11(15-9)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,12,14)
InChIKeyIHAPTUWFWPPDMT-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982575) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982575
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCCCC2)s1
InChIInChI=1S/C11H17N3S/c1-9-13-14-11(15-9)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,12,14)
InChIKeyIHAPTUWFWPPDMT-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982575) is N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2=CCCCC2)s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IHAPTUWFWPPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-9-13-14-11(15-9)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,12,14).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).