1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine

C14H10N4S — CID 2739299

IUPAC1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine
SMILESC(=N/c1ccc(-c2csnn2)cc1)\c1cccnc1
InChIInChI=1S/C14H10N4S/c1-2-11(8-15-7-1)9-16-13-5-3-12(4-6-13)14-10-19-18-17-14/h1-10H/b16-9+
InChIKeyGEQBNEIINCDBSV-CXUHLZMHSA-N
MW266.33 g/mol
LogP3.35
Rot. Bonds3

About 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine

1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine (PubChem CID 2739299) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine
PubChem CID2739299
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine
SMILESC(=N/c1ccc(-c2csnn2)cc1)\c1cccnc1
InChIInChI=1S/C14H10N4S/c1-2-11(8-15-7-1)9-16-13-5-3-12(4-6-13)14-10-19-18-17-14/h1-10H/b16-9+
InChIKeyGEQBNEIINCDBSV-CXUHLZMHSA-N
XLogP3.35
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The IUPAC name of 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine (CID 2739299) is 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine.
What is the SMILES notation for 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The canonical SMILES for 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine is C(=N/c1ccc(-c2csnn2)cc1)\c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The InChIKey is GEQBNEIINCDBSV-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-11(8-15-7-1)9-16-13-5-3-12(4-6-13)14-10-19-18-17-14/h1-10H/b16-9+.
What are the key properties of 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine has a molecular weight of 266.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine is sourced from PubChem (CID 2739299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).