3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C15H14ClN3S — CID 43304600

IUPAC3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3c(N)cccc3Cl)cn2c1
InChIInChI=1S/C15H14ClN3S/c1-10-5-6-14-18-11(8-19(14)7-10)9-20-15-12(16)3-2-4-13(15)17/h2-8H,9,17H2,1H3
InChIKeyRAONLPVSUFXZRN-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.17
Rot. Bonds3

About 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 43304600) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID43304600
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3c(N)cccc3Cl)cn2c1
InChIInChI=1S/C15H14ClN3S/c1-10-5-6-14-18-11(8-19(14)7-10)9-20-15-12(16)3-2-4-13(15)17/h2-8H,9,17H2,1H3
InChIKeyRAONLPVSUFXZRN-UHFFFAOYSA-N
XLogP4.17
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.17
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

2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79147590
6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridin-3-amine
CID 43301189
3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 43302953
3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 43304882
3-chloro-2-[2-(4-methylphenyl)sulfanylethylsulfanyl]aniline
CID 43304710
3-bromo-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 82841387
3-chloro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 43304905
3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 22110828
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-3-chloroaniline
CID 43304515
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588
2-[(2-chlorophenyl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
CID 112815308
3-chloro-2-(pyrimidin-2-ylmethylsulfanyl)aniline
CID 62699384

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 43304600) is 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1ccc2nc(CSc3c(N)cccc3Cl)cn2c1.
What is the InChIKey of 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is RAONLPVSUFXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-5-6-14-18-11(8-19(14)7-10)9-20-15-12(16)3-2-4-13(15)17/h2-8H,9,17H2,1H3.
What are the key properties of 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 303.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43304600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).