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

C15H11ClN6S — CID 687533

IUPAC3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1c(CSc2nnnn2-c2ccccc2)nc2ccccn12
InChIInChI=1S/C15H11ClN6S/c16-14-12(17-13-8-4-5-9-21(13)14)10-23-15-18-19-20-22(15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyQHGBFFHBAAHLJZ-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.26
Rot. Bonds4

About 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 687533) has the molecular formula C15H11ClN6S and a molecular weight of 342.82 g/mol. Its IUPAC name is 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID687533
Molecular FormulaC15H11ClN6S
Molecular Weight342.82 g/mol
Exact Mass342.05
IUPAC Name3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1c(CSc2nnnn2-c2ccccc2)nc2ccccn12
InChIInChI=1S/C15H11ClN6S/c16-14-12(17-13-8-4-5-9-21(13)14)10-23-15-18-19-20-22(15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyQHGBFFHBAAHLJZ-UHFFFAOYSA-N
XLogP3.26
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
CID 4839922
5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 1414498
3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 1391204
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216820
7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415936
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 62047182
3-(2-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9033418
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 687533) is 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Clc1c(CSc2nnnn2-c2ccccc2)nc2ccccn12.
What is the InChIKey of 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is QHGBFFHBAAHLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6S/c16-14-12(17-13-8-4-5-9-21(13)14)10-23-15-18-19-20-22(15)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 342.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 687533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).