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

C16H14N6S — CID 40663459

IUPAC8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nnnn3-c3ccccc3)nc12
InChIInChI=1S/C16H14N6S/c1-12-6-5-9-21-10-13(17-15(12)21)11-23-16-18-19-20-22(16)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyOQQZYGLCMMQAOS-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.91
Rot. Bonds4

About 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 40663459) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID40663459
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nnnn3-c3ccccc3)nc12
InChIInChI=1S/C16H14N6S/c1-12-6-5-9-21-10-13(17-15(12)21)11-23-16-18-19-20-22(16)14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKeyOQQZYGLCMMQAOS-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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Related Compounds

2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 17458002
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 4805210
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
3-(2-chlorophenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 24674294
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 8895594
2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
CID 3375352
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
3-(2,4-dichlorophenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 24674286
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 78763238

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 40663459) is 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cccn2cc(CSc3nnnn3-c3ccccc3)nc12.
What is the InChIKey of 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is OQQZYGLCMMQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-12-6-5-9-21-10-13(17-15(12)21)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 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
8-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 8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 40663459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).