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

C16H17N3S — CID 79143687

IUPAC2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1c(N)cccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3S/c1-11-5-4-8-19-9-13(18-16(11)19)10-20-15-7-3-6-14(17)12(15)2/h3-9H,10,17H2,1-2H3
InChIKeyMEUAOHMGLIWSCP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.83
Rot. Bonds3

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

2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 79143687) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID79143687
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1c(N)cccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3S/c1-11-5-4-8-19-9-13(18-16(11)19)10-20-15-7-3-6-14(17)12(15)2/h3-9H,10,17H2,1-2H3
InChIKeyMEUAOHMGLIWSCP-UHFFFAOYSA-N
XLogP3.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79827126
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250010
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 78763238
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775
N,N-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 70660652
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40663459
2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
CID 3375352
2-methyl-3-[(3-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 112650543
3-(2-chlorophenyl)-5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 24674294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 79143687) is 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1c(N)cccc1SCc1cn2cccc(C)c2n1.
What is the InChIKey of 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is MEUAOHMGLIWSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-5-4-8-19-9-13(18-16(11)19)10-20-15-7-3-6-14(17)12(15)2/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 283.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79143687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).