2-benzylimidazo[1,2-a]pyridine-3-carbothioamide

C15H13N3S — CID 82223056

IUPAC2-benzylimidazo[1,2-a]pyridine-3-carbothioamide
SMILESNC(=S)c1c(Cc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3S/c16-15(19)14-12(10-11-6-2-1-3-7-11)17-13-8-4-5-9-18(13)14/h1-9H,10H2,(H2,16,19)
InChIKeyJAFWSNMISMFWSQ-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.56
Rot. Bonds3

About 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide

2-benzylimidazo[1,2-a]pyridine-3-carbothioamide (PubChem CID 82223056) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-benzylimidazo[1,2-a]pyridine-3-carbothioamide
PubChem CID82223056
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-benzylimidazo[1,2-a]pyridine-3-carbothioamide
SMILESNC(=S)c1c(Cc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H13N3S/c16-15(19)14-12(10-11-6-2-1-3-7-11)17-13-8-4-5-9-18(13)14/h1-9H,10H2,(H2,16,19)
InChIKeyJAFWSNMISMFWSQ-UHFFFAOYSA-N
XLogP2.56
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide
CID 82530283
2-benzylimidazo[1,2-a]pyridin-3-ol
CID 175985122
2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 142751956
N-(2-benzylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylacetamide
CID 42694282
N-(2-benzylimidazo[1,2-a]pyridin-3-yl)cyclobutanecarboxamide
CID 42694317
N-(2-benzylimidazo[1,2-a]pyridin-3-yl)-2-methoxyacetamide
CID 42694295
2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 142751927
2-ethylimidazo[1,2-a]pyridin-3-amine
CID 63617913
N-(2-benzylimidazo[1,2-a]pyridin-3-yl)-4-ethylbenzamide
CID 42694304
1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553

Frequently Asked Questions

What is the IUPAC name of 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide?
The IUPAC name of 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide (CID 82223056) is 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide.
What is the SMILES notation for 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide?
The canonical SMILES for 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide is NC(=S)c1c(Cc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide?
The InChIKey is JAFWSNMISMFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-15(19)14-12(10-11-6-2-1-3-7-11)17-13-8-4-5-9-18(13)14/h1-9H,10H2,(H2,16,19).
What are the key properties of 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide?
2-benzylimidazo[1,2-a]pyridine-3-carbothioamide has a molecular weight of 267.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimidazo[1,2-a]pyridine-3-carbothioamide is sourced from PubChem (CID 82223056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).