5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine

C11H13N3S — CID 3135848

IUPAC5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H13N3S/c1-8(9-5-3-2-4-6-9)7-10-13-14-11(12)15-10/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKeyTZDRLIUGQBKIFY-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.47
Rot. Bonds3

About 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine

5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3135848) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID3135848
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Cc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H13N3S/c1-8(9-5-3-2-4-6-9)7-10-13-14-11(12)15-10/h2-6,8H,7H2,1H3,(H2,12,14)
InChIKeyTZDRLIUGQBKIFY-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine (CID 3135848) is 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine is CC(Cc1nnc(N)s1)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TZDRLIUGQBKIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(9-5-3-2-4-6-9)7-10-13-14-11(12)15-10/h2-6,8H,7H2,1H3,(H2,12,14).
What are the key properties of 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine?
5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).