2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine

C19H15N5S — CID 10553663

IUPAC2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine
SMILESCc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)ccn1
InChIInChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24)
InChIKeyPZECLYJWVGQDMG-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.39
Rot. Bonds4

About 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine

2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine (PubChem CID 10553663) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine.

Molecular Properties

Compound Name2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine
PubChem CID10553663
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine
SMILESCc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)ccn1
InChIInChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24)
InChIKeyPZECLYJWVGQDMG-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine?
The IUPAC name of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine (CID 10553663) is 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine.
What is the SMILES notation for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine?
The canonical SMILES for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine is Cc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)ccn1.
What is the InChIKey of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine?
The InChIKey is PZECLYJWVGQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24).
What are the key properties of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine?
2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine has a molecular weight of 345.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylpyridine is sourced from PubChem (CID 10553663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).