2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine

C7H7N5S2 — CID 14140373

IUPAC2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine
SMILESNC(N)=Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N5S2/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4/h1-3H,(H4,8,9,10,12)
InChIKeyPTMGKVISRIIFRL-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.17
Rot. Bonds2

About 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine

2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine (PubChem CID 14140373) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine
PubChem CID14140373
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine
SMILESNC(N)=Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N5S2/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4/h1-3H,(H4,8,9,10,12)
InChIKeyPTMGKVISRIIFRL-UHFFFAOYSA-N
XLogP1.17
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine?
The IUPAC name of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine (CID 14140373) is 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine.
What is the SMILES notation for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine?
The canonical SMILES for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine is NC(N)=Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine?
The InChIKey is PTMGKVISRIIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4/h1-3H,(H4,8,9,10,12).
What are the key properties of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine?
2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine has a molecular weight of 225.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine is sourced from PubChem (CID 14140373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).