N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

C12H15ClN2OS — CID 103943582

IUPACN-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1ncccc1Cl
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-5-14-12(10)15-11(16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,14,15,16)
InChIKeyAEXODIGOVSHDHU-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (PubChem CID 103943582) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
PubChem CID103943582
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1ncccc1Cl
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-5-14-12(10)15-11(16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,14,15,16)
InChIKeyAEXODIGOVSHDHU-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

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
3-[[2-(thian-4-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 83146201
N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
CID 103769444
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351
N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 128706689
N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82344080
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (CID 103943582) is N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The InChIKey is AEXODIGOVSHDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-10-2-1-5-14-12(10)15-11(16)8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,14,15,16).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
N-(3-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-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 103943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).