5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine

C13H18N4S — CID 76850717

IUPAC5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(CC)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C13H18N4S/c1-3-9-17(4-2)11-7-5-10(6-8-11)12-15-16-13(14)18-12/h5-8H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyCCGYRMINRRGHOU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.02
Rot. Bonds5

About 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine

5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 76850717) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID76850717
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCCN(CC)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C13H18N4S/c1-3-9-17(4-2)11-7-5-10(6-8-11)12-15-16-13(14)18-12/h5-8H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyCCGYRMINRRGHOU-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine (CID 76850717) is 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine is CCCN(CC)c1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CCGYRMINRRGHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-9-17(4-2)11-7-5-10(6-8-11)12-15-16-13(14)18-12/h5-8H,3-4,9H2,1-2H3,(H2,14,16).
What are the key properties of 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 76850717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).