6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C18H17N5S — CID 40569933

IUPAC6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(CSc3nnc(-c4ccccc4)n3C)cn2c1
InChIInChI=1S/C18H17N5S/c1-13-8-9-16-19-15(11-23(16)10-13)12-24-18-21-20-17(22(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFYCBLFNSZXETMO-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.73
Rot. Bonds4

About 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 40569933) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID40569933
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(CSc3nnc(-c4ccccc4)n3C)cn2c1
InChIInChI=1S/C18H17N5S/c1-13-8-9-16-19-15(11-23(16)10-13)12-24-18-21-20-17(22(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFYCBLFNSZXETMO-UHFFFAOYSA-N
XLogP3.73
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17301322
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 41128682
6-chloro-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40524762
6-chloro-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4858868
5-methyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 8950679
4-methyl-3-[[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 4003653
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19726048
4-methyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 7895696
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
CID 112785860
3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 22110828
4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
CID 38870010
2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19730258

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 40569933) is 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccc2nc(CSc3nnc(-c4ccccc4)n3C)cn2c1.
What is the InChIKey of 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is FYCBLFNSZXETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-13-8-9-16-19-15(11-23(16)10-13)12-24-18-21-20-17(22(18)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 335.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 40569933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).