2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide

C17H16N4OS2 — CID 3995958

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESCc1nnc(SCC(=O)NN(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16N4OS2/c1-13-18-19-17(24-13)23-12-16(22)20-21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,22)
InChIKeyRATJAWFDIOQVDQ-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.81
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide (PubChem CID 3995958) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide
PubChem CID3995958
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide
SMILESCc1nnc(SCC(=O)NN(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C17H16N4OS2/c1-13-18-19-17(24-13)23-12-16(22)20-21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,22)
InChIKeyRATJAWFDIOQVDQ-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3965817
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606
N-(1,2-diphenylethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18193675
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylbutyl)acetamide
CID 51184247
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7522794
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 606943
N-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507443
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-phenoxyphenyl)acetamide
CID 51141795
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3343317

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide (CID 3995958) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide is Cc1nnc(SCC(=O)NN(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
The InChIKey is RATJAWFDIOQVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-13-18-19-17(24-13)23-12-16(22)20-21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide has a molecular weight of 356.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 3995958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).