4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine

C13H16ClN3OS — CID 62195627

IUPAC4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C13H16ClN3OS/c1-4-15-13-11(16-17-19-13)7-18-12-8(2)5-10(14)6-9(12)3/h5-6,15H,4,7H2,1-3H3
InChIKeyOGGCDNZXOORWET-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.82
Rot. Bonds5

About 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine

4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 62195627) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine
PubChem CID62195627
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C13H16ClN3OS/c1-4-15-13-11(16-17-19-13)7-18-12-8(2)5-10(14)6-9(12)3/h5-6,15H,4,7H2,1-3H3
InChIKeyOGGCDNZXOORWET-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine (CID 62195627) is 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1COc1c(C)cc(Cl)cc1C.
What is the InChIKey of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is OGGCDNZXOORWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-4-15-13-11(16-17-19-13)7-18-12-8(2)5-10(14)6-9(12)3/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine?
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 297.81 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62195627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).