8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H13N5S2 — CID 51140067

IUPAC8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3n[nH]c(-c4cccs4)n3)nc12
InChIInChI=1S/C15H13N5S2/c1-10-4-2-6-20-8-11(16-14(10)20)9-22-15-17-13(18-19-15)12-5-3-7-21-12/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyDGAYFWJQSGORBJ-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.78
Rot. Bonds4

About 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 51140067) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID51140067
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC Name8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3n[nH]c(-c4cccs4)n3)nc12
InChIInChI=1S/C15H13N5S2/c1-10-4-2-6-20-8-11(16-14(10)20)9-22-15-17-13(18-19-15)12-5-3-7-21-12/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyDGAYFWJQSGORBJ-UHFFFAOYSA-N
XLogP3.78
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857218
3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
2-propan-2-yl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 56808787
3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857275
8-methyl-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117137867
2-methylsulfanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135676990
2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
CID 3375352
2-(4-propan-2-ylphenyl)-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 7857274
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
3-pentylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 75415148
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 51174171
5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250010

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 51140067) is 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cccn2cc(CSc3n[nH]c(-c4cccs4)n3)nc12.
What is the InChIKey of 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is DGAYFWJQSGORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-10-4-2-6-20-8-11(16-14(10)20)9-22-15-17-13(18-19-15)12-5-3-7-21-12/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 327.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51140067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).