5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine

C14H13N3S2 — CID 91576983

IUPAC5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C(Cc2ccccc2)c2ccsc2)s1
InChIInChI=1S/C14H13N3S2/c15-14-17-16-13(19-14)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,17)
InChIKeyPUNBTQVOXRQSET-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.56
Rot. Bonds4

About 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine

5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 91576983) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID91576983
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C(Cc2ccccc2)c2ccsc2)s1
InChIInChI=1S/C14H13N3S2/c15-14-17-16-13(19-14)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,17)
InChIKeyPUNBTQVOXRQSET-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine (CID 91576983) is 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(C(Cc2ccccc2)c2ccsc2)s1.
What is the InChIKey of 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PUNBTQVOXRQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c15-14-17-16-13(19-14)12(11-6-7-18-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,15,17).
What are the key properties of 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-1-thiophen-3-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91576983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).