N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C10H8Cl2N4OS2 — CID 2545100

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1c(Cl)cnc(NC(=O)CSc2nncs2)c1Cl
InChIInChI=1S/C10H8Cl2N4OS2/c1-5-6(11)2-13-9(8(5)12)15-7(17)3-18-10-16-14-4-19-10/h2,4H,3H2,1H3,(H,13,15,17)
InChIKeyMPZYNBCSDBBVJR-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.28
Rot. Bonds4

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2545100) has the molecular formula C10H8Cl2N4OS2 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2545100
Molecular FormulaC10H8Cl2N4OS2
Molecular Weight335.24 g/mol
Exact Mass333.95
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1c(Cl)cnc(NC(=O)CSc2nncs2)c1Cl
InChIInChI=1S/C10H8Cl2N4OS2/c1-5-6(11)2-13-9(8(5)12)15-7(17)3-18-10-16-14-4-19-10/h2,4H,3H2,1H3,(H,13,15,17)
InChIKeyMPZYNBCSDBBVJR-UHFFFAOYSA-N
XLogP3.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 2161543
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 7364423
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2085859
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
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
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55852444
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4858269

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2545100) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1c(Cl)cnc(NC(=O)CSc2nncs2)c1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is MPZYNBCSDBBVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS2/c1-5-6(11)2-13-9(8(5)12)15-7(17)3-18-10-16-14-4-19-10/h2,4H,3H2,1H3,(H,13,15,17).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 335.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2545100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).