N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C12H12Cl2N4OS — CID 7364423

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCc1c(Cl)cnc(NC(=O)CSc2nccn2C)c1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-7-8(13)5-16-11(10(7)14)17-9(19)6-20-12-15-3-4-18(12)2/h3-5H,6H2,1-2H3,(H,16,17,19)
InChIKeyOSMGAPQEOIBYNK-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.16
Rot. Bonds4

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 7364423) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID7364423
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCc1c(Cl)cnc(NC(=O)CSc2nccn2C)c1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-7-8(13)5-16-11(10(7)14)17-9(19)6-20-12-15-3-4-18(12)2/h3-5H,6H2,1-2H3,(H,16,17,19)
InChIKeyOSMGAPQEOIBYNK-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2085859
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2545100
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2662786
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 27923574
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 2161543
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2613850
4-chloro-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid
CID 45293920

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 7364423) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cc1c(Cl)cnc(NC(=O)CSc2nccn2C)c1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is OSMGAPQEOIBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c1-7-8(13)5-16-11(10(7)14)17-9(19)6-20-12-15-3-4-18(12)2/h3-5H,6H2,1-2H3,(H,16,17,19).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 331.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 7364423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).