N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

C18H19N5O2S2 — CID 121075974

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCSc1nnc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)ccc2=O)s1
InChIInChI=1S/C18H19N5O2S2/c1-4-26-18-21-20-17(27-18)19-16(25)12(3)23-15(24)10-9-14(22-23)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,19,20,25)
InChIKeyZFGMXPJMGHHGLJ-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.38
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 121075974) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID121075974
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCSc1nnc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)ccc2=O)s1
InChIInChI=1S/C18H19N5O2S2/c1-4-26-18-21-20-17(27-18)19-16(25)12(3)23-15(24)10-9-14(22-23)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,19,20,25)
InChIKeyZFGMXPJMGHHGLJ-UHFFFAOYSA-N
XLogP3.38
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9397243
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050007
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050956
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121050018
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
(2R)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 40640805
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
2-acetamido-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 17423121
(2R)-2-acetamido-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 40880830
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 121075974) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is CCSc1nnc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)ccc2=O)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is ZFGMXPJMGHHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-4-26-18-21-20-17(27-18)19-16(25)12(3)23-15(24)10-9-14(22-23)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,19,20,25).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 401.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 121075974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).