1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone

C14H13ClN2OS — CID 66139550

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
SMILESCc1cnc(N)c(C(=O)CSc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-6-10(14(16)17-7-9)12(18)8-19-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyAYIXHAMXNYANBS-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone

1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone (PubChem CID 66139550) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
PubChem CID66139550
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
SMILESCc1cnc(N)c(C(=O)CSc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-6-10(14(16)17-7-9)12(18)8-19-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyAYIXHAMXNYANBS-UHFFFAOYSA-N
XLogP3.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
CID 66271398
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
CID 65130731
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
2-(2-chlorophenyl)sulfanyl-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 4553879
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone (CID 66139550) is 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone is Cc1cnc(N)c(C(=O)CSc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone?
The InChIKey is AYIXHAMXNYANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-6-10(14(16)17-7-9)12(18)8-19-13-5-3-2-4-11(13)15/h2-7H,8H2,1H3,(H2,16,17).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone?
1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone has a molecular weight of 292.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 66139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).