2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide

C15H12FN3S — CID 82530283

IUPAC2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide
SMILESNC(=S)c1c(Cc2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C15H12FN3S/c16-11-6-7-13-18-12(8-10-4-2-1-3-5-10)14(15(17)20)19(13)9-11/h1-7,9H,8H2,(H2,17,20)
InChIKeyWGKAEBPWVFQOSZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.70
Rot. Bonds3

About 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide

2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide (PubChem CID 82530283) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide
PubChem CID82530283
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide
SMILESNC(=S)c1c(Cc2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C15H12FN3S/c16-11-6-7-13-18-12(8-10-4-2-1-3-5-10)14(15(17)20)19(13)9-11/h1-7,9H,8H2,(H2,17,20)
InChIKeyWGKAEBPWVFQOSZ-UHFFFAOYSA-N
XLogP2.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.70
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-benzylimidazo[1,2-a]pyridine-3-carbothioamide
CID 82223056
(2-benzyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82223117
1-(2-benzyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82530281
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223118
2-benzyl-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
CID 63617466
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
2-[(4-chlorophenyl)methyl]-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223727
6-fluoro-2-propylimidazo[1,2-a]pyridin-3-amine
CID 63619000
3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
CID 154706945
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530388
2-benzylimidazo[1,2-a]pyridin-3-ol
CID 175985122
2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90869134

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide?
The IUPAC name of 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide (CID 82530283) is 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide.
What is the SMILES notation for 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide?
The canonical SMILES for 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide is NC(=S)c1c(Cc2ccccc2)nc2ccc(F)cn12.
What is the InChIKey of 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide?
The InChIKey is WGKAEBPWVFQOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-11-6-7-13-18-12(8-10-4-2-1-3-5-10)14(15(17)20)19(13)9-11/h1-7,9H,8H2,(H2,17,20).
What are the key properties of 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide?
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide has a molecular weight of 285.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbothioamide is sourced from PubChem (CID 82530283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).