N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

C12H15ClN2OS — CID 115700351

IUPACN-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-3-11(14-10)15-12(16)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H,14,15,16)
InChIKeyLVTBGULJAAVITO-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (PubChem CID 115700351) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
PubChem CID115700351
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-3-11(14-10)15-12(16)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H,14,15,16)
InChIKeyLVTBGULJAAVITO-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
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

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 83137597
N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
CID 103769444
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 114051060
N-[3-(chloromethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83138099
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
N-[6-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82343887
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (CID 115700351) is N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The InChIKey is LVTBGULJAAVITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-10-2-1-3-11(14-10)15-12(16)8-9-4-6-17-7-5-9/h1-3,9H,4-8H2,(H,14,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide has a molecular weight of 270.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 115700351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).