3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C16H17N3OS — CID 79827126

IUPAC3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3
InChIKeyQJVIZUWGRXHMHM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.53
Rot. Bonds4

About 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 79827126) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID79827126
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3
InChIKeyQJVIZUWGRXHMHM-UHFFFAOYSA-N
XLogP3.53
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-(Tert-butylsulfonyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenol
CID 145957053
N-[(4-methoxyphenyl)methyl]-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 858049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 4447336
3-(3-Methoxyphenyl)-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium bromide
CID 16196153
4-[6-[(4-methoxyphenyl)methylsulfanyl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
CID 17759060
CID 24891766
CID 24891766
CID 24891774
CID 24891774
N-butyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891778
CID 24891788
CID 24891788
CID 24892470
CID 24892470
2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-cyclohexyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 53299542
2-(3-butan-2-ylsulfanyl-4-methoxyphenyl)-N-butyl-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 53299544

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 79827126) is 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is COc1cc(N)ccc1SCc1cn2cccc(C)c2n1.
What is the InChIKey of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is QJVIZUWGRXHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 299.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79827126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).