N,5-diphenyl-1,3,4-thiadiazol-2-amine

C14H11N3S — CID 5270835

IUPACN,5-diphenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H11N3S/c1-3-7-11(8-4-1)13-16-17-14(18-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,17)
InChIKeyOBDULOLVDJHSJL-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.95
Rot. Bonds3

About N,5-diphenyl-1,3,4-thiadiazol-2-amine

N,5-diphenyl-1,3,4-thiadiazol-2-amine (PubChem CID 5270835) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is N,5-diphenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-diphenyl-1,3,4-thiadiazol-2-amine
PubChem CID5270835
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC NameN,5-diphenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H11N3S/c1-3-7-11(8-4-1)13-16-17-14(18-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,17)
InChIKeyOBDULOLVDJHSJL-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-diphenyl-1,3,4-thiadiazol-2-amine (CID 5270835) is N,5-diphenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-diphenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-diphenyl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N,5-diphenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OBDULOLVDJHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-3-7-11(8-4-1)13-16-17-14(18-13)15-12-9-5-2-6-10-12/h1-10H,(H,15,17).
What are the key properties of N,5-diphenyl-1,3,4-thiadiazol-2-amine?
N,5-diphenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).