5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine

C15H19N3S — CID 107647620

IUPAC5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC(c3ccccc3C)C2)s1
InChIInChI=1S/C15H19N3S/c1-3-14-17-18-15(19-14)16-12-8-11(9-12)13-7-5-4-6-10(13)2/h4-7,11-12H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyCYPOLJXJJYOSNB-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.77
Rot. Bonds4

About 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647620) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
PubChem CID107647620
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC(c3ccccc3C)C2)s1
InChIInChI=1S/C15H19N3S/c1-3-14-17-18-15(19-14)16-12-8-11(9-12)13-7-5-4-6-10(13)2/h4-7,11-12H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyCYPOLJXJJYOSNB-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine (CID 107647620) is 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CC(c3ccccc3C)C2)s1.
What is the InChIKey of 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CYPOLJXJJYOSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-14-17-18-15(19-14)16-12-8-11(9-12)13-7-5-4-6-10(13)2/h4-7,11-12H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 273.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).