N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide

C13H16Cl2N2OS — CID 114051060

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CC1CCSCC1
InChIInChI=1S/C13H16Cl2N2OS/c1-8-6-10(14)16-13(15)12(8)17-11(18)7-9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3,(H,17,18)
InChIKeyCXQLJAIQCUCJLU-UHFFFAOYSA-N
MW319.26 g/mol
LogP4.17
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide (PubChem CID 114051060) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
PubChem CID114051060
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)CC1CCSCC1
InChIInChI=1S/C13H16Cl2N2OS/c1-8-6-10(14)16-13(15)12(8)17-11(18)7-9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3,(H,17,18)
InChIKeyCXQLJAIQCUCJLU-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dichloro-4-methyl-3-pyridinyl)acetamide
CID 103738252
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351
N-(3,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 110857463
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 113252056
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thian-4-yl)acetamide
CID 80709462
N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
CID 103769444
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 103738374
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 113252047
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 103144489
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 114051356

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide (CID 114051060) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide is Cc1cc(Cl)nc(Cl)c1NC(=O)CC1CCSCC1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide?
The InChIKey is CXQLJAIQCUCJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c1-8-6-10(14)16-13(15)12(8)17-11(18)7-9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide has a molecular weight of 319.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 114051060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).