3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide

C15H13N3OS — CID 24701418

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
SMILESNC(=S)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H13N3OS/c16-15(20)11-4-3-5-13(8-11)19-10-12-9-18-7-2-1-6-14(18)17-12/h1-9H,10H2,(H2,16,20)
InChIKeyUAMVBUXEPKBACP-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.55
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide (PubChem CID 24701418) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
PubChem CID24701418
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
SMILESNC(=S)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H13N3OS/c16-15(20)11-4-3-5-13(8-11)19-10-12-9-18-7-2-1-6-14(18)17-12/h1-9H,10H2,(H2,16,20)
InChIKeyUAMVBUXEPKBACP-UHFFFAOYSA-N
XLogP2.55
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 62970898
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide (CID 24701418) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide is NC(=S)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide?
The InChIKey is UAMVBUXEPKBACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-15(20)11-4-3-5-13(8-11)19-10-12-9-18-7-2-1-6-14(18)17-12/h1-9H,10H2,(H2,16,20).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide has a molecular weight of 283.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide is sourced from PubChem (CID 24701418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).