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

C16H14N6S — CID 658945

IUPAC5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12
InChIInChI=1S/C16H14N6S/c1-12-6-5-9-15-17-13(10-21(12)15)11-23-16-18-19-20-22(16)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyQKLYIIRKSZCXCM-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.91
Rot. Bonds4

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

5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 658945) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID658945
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12
InChIInChI=1S/C16H14N6S/c1-12-6-5-9-15-17-13(10-21(12)15)11-23-16-18-19-20-22(16)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyQKLYIIRKSZCXCM-UHFFFAOYSA-N
XLogP2.91
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 658945) is 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12.
What is the InChIKey of 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is QKLYIIRKSZCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-12-6-5-9-15-17-13(10-21(12)15)11-23-16-18-19-20-22(16)14-7-3-2-4-8-14/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 322.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 658945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).