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

C17H17N5S2 — CID 19725786

IUPAC2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCC(C)n1c(SCc2cn3ccccc3n2)nnc1-c1cccs1
InChIInChI=1S/C17H17N5S2/c1-12(2)22-16(14-6-5-9-23-14)19-20-17(22)24-11-13-10-21-8-4-3-7-15(21)18-13/h3-10,12H,11H2,1-2H3
InChIKeyASLMYFYBZYRSHP-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.53
Rot. Bonds5

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

2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 19725786) has the molecular formula C17H17N5S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID19725786
Molecular FormulaC17H17N5S2
Molecular Weight355.49 g/mol
Exact Mass355.09
IUPAC Name2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCC(C)n1c(SCc2cn3ccccc3n2)nnc1-c1cccs1
InChIInChI=1S/C17H17N5S2/c1-12(2)22-16(14-6-5-9-23-14)19-20-17(22)24-11-13-10-21-8-4-3-7-15(21)18-13/h3-10,12H,11H2,1-2H3
InChIKeyASLMYFYBZYRSHP-UHFFFAOYSA-N
XLogP4.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19726048
2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19720848
2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19717679
2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19730258
N-(2-methoxyphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725863
6-methyl-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 55317764
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17301322
3-tert-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 78762686
3-(2-chlorophenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 7171227
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725892

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 19725786) is 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is CC(C)n1c(SCc2cn3ccccc3n2)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is ASLMYFYBZYRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S2/c1-12(2)22-16(14-6-5-9-23-14)19-20-17(22)24-11-13-10-21-8-4-3-7-15(21)18-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 355.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 19725786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).