2-N-phenyl-1,3,4-thiadiazole-2,5-diamine

C8H8N4S — CID 12890398

IUPAC2-N-phenyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C8H8N4S/c9-7-11-12-8(13-7)10-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12)
InChIKeyGSRKEYPBUVRTCM-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.86
Rot. Bonds2

About 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine

2-N-phenyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 12890398) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-phenyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID12890398
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-N-phenyl-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C8H8N4S/c9-7-11-12-8(13-7)10-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12)
InChIKeyGSRKEYPBUVRTCM-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine (CID 12890398) is 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is GSRKEYPBUVRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-7-11-12-8(13-7)10-6-4-2-1-3-5-6/h1-5H,(H2,9,11)(H,10,12).
What are the key properties of 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine?
2-N-phenyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 192.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 12890398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).