N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

C12H10ClN3OS — CID 3918454

IUPACN-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17)
InChIKeyPSEHMDSRNPZYGI-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.86
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 3918454) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID3918454
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17)
InChIKeyPSEHMDSRNPZYGI-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
N-(5-chloro-2-pyridinyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 4686631
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2464434

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (CID 3918454) is N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is PSEHMDSRNPZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 279.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 3918454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).