2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine

C16H20N6S — CID 17458002

IUPAC2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nnnn3C3CCCCC3)nc12
InChIInChI=1S/C16H20N6S/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/h5-6,9-10,14H,2-4,7-8,11H2,1H3
InChIKeySPLGPKGXJNISMC-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.43
Rot. Bonds4

About 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine

2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 17458002) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID17458002
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3nnnn3C3CCCCC3)nc12
InChIInChI=1S/C16H20N6S/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/h5-6,9-10,14H,2-4,7-8,11H2,1H3
InChIKeySPLGPKGXJNISMC-UHFFFAOYSA-N
XLogP3.43
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine (CID 17458002) is 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine is Cc1cccn2cc(CSc3nnnn3C3CCCCC3)nc12.
What is the InChIKey of 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is SPLGPKGXJNISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/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/h5-6,9-10,14H,2-4,7-8,11H2,1H3.
What are the key properties of 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine?
2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 328.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 17458002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).