4-(cycloheptyloxymethyl)thiadiazol-5-amine

C10H17N3OS — CID 62189585

IUPAC4-(cycloheptyloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCCCCC1
InChIInChI=1S/C10H17N3OS/c11-10-9(12-13-15-10)7-14-8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyBGYSDKPRWUKYQD-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.36
Rot. Bonds3

About 4-(cycloheptyloxymethyl)thiadiazol-5-amine

4-(cycloheptyloxymethyl)thiadiazol-5-amine (PubChem CID 62189585) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(cycloheptyloxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(cycloheptyloxymethyl)thiadiazol-5-amine
PubChem CID62189585
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(cycloheptyloxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COC1CCCCCC1
InChIInChI=1S/C10H17N3OS/c11-10-9(12-13-15-10)7-14-8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyBGYSDKPRWUKYQD-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptyloxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(cycloheptyloxymethyl)thiadiazol-5-amine (CID 62189585) is 4-(cycloheptyloxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(cycloheptyloxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(cycloheptyloxymethyl)thiadiazol-5-amine is Nc1snnc1COC1CCCCCC1.
What is the InChIKey of 4-(cycloheptyloxymethyl)thiadiazol-5-amine?
The InChIKey is BGYSDKPRWUKYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-10-9(12-13-15-10)7-14-8-5-3-1-2-4-6-8/h8H,1-7,11H2.
What are the key properties of 4-(cycloheptyloxymethyl)thiadiazol-5-amine?
4-(cycloheptyloxymethyl)thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptyloxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62189585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).