2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine

C14H16ClN5S — CID 18166692

IUPAC2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc(SCc2cn3cc(Cl)ccc3n2)n[nH]1
InChIInChI=1S/C14H16ClN5S/c1-14(2,3)12-17-13(19-18-12)21-8-10-7-20-6-9(15)4-5-11(20)16-10/h4-7H,8H2,1-3H3,(H,17,18,19)
InChIKeySRLFYBGZLIVUTF-UHFFFAOYSA-N
MW321.84 g/mol
LogP3.70
Rot. Bonds3

About 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine

2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine (PubChem CID 18166692) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine
PubChem CID18166692
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc(SCc2cn3cc(Cl)ccc3n2)n[nH]1
InChIInChI=1S/C14H16ClN5S/c1-14(2,3)12-17-13(19-18-12)21-8-10-7-20-6-9(15)4-5-11(20)16-10/h4-7H,8H2,1-3H3,(H,17,18,19)
InChIKeySRLFYBGZLIVUTF-UHFFFAOYSA-N
XLogP3.70
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 7878877
6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 6415925
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 40569985
2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
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CID 4262836
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 7982235
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79148325
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]butan-1-ol
CID 66135900
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine (CID 18166692) is 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine is CC(C)(C)c1nc(SCc2cn3cc(Cl)ccc3n2)n[nH]1.
What is the InChIKey of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine?
The InChIKey is SRLFYBGZLIVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5S/c1-14(2,3)12-17-13(19-18-12)21-8-10-7-20-6-9(15)4-5-11(20)16-10/h4-7H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine?
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine has a molecular weight of 321.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 18166692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).