4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine

C9H15N3OS — CID 62193841

IUPAC4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COC1CCCC1
InChIInChI=1S/C9H15N3OS/c1-10-9-8(11-12-14-9)6-13-7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyDAEGLATWXVEHHR-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.04
Rot. Bonds4

About 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine

4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine (PubChem CID 62193841) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
PubChem CID62193841
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COC1CCCC1
InChIInChI=1S/C9H15N3OS/c1-10-9-8(11-12-14-9)6-13-7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyDAEGLATWXVEHHR-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine (CID 62193841) is 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine is CNc1snnc1COC1CCCC1.
What is the InChIKey of 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine?
The InChIKey is DAEGLATWXVEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-10-9-8(11-12-14-9)6-13-7-4-2-3-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine?
4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxymethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62193841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).