2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H12N6S — CID 658806

IUPAC2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N6S/c1-2-6-13(7-3-1)21-15(17-18-19-21)22-11-12-10-20-9-5-4-8-14(20)16-12/h1-10H,11H2
InChIKeyLEMGSOWOFONRGQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.60
Rot. Bonds4

About 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 658806) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID658806
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N6S/c1-2-6-13(7-3-1)21-15(17-18-19-21)22-11-12-10-20-9-5-4-8-14(20)16-12/h1-10H,11H2
InChIKeyLEMGSOWOFONRGQ-UHFFFAOYSA-N
XLogP2.60
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 658806) is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is LEMGSOWOFONRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-6-13(7-3-1)21-15(17-18-19-21)22-11-12-10-20-9-5-4-8-14(20)16-12/h1-10H,11H2.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 308.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).