2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide

C16H14N4OS — CID 2739275

IUPAC2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14N4OS/c1-11-4-2-3-5-14(11)16(21)19-17-13-8-6-12(7-9-13)15-10-22-20-18-15/h2-10,17H,1H3,(H,19,21)
InChIKeyZGSHLESCBXCHGS-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide

2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide (PubChem CID 2739275) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide
PubChem CID2739275
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14N4OS/c1-11-4-2-3-5-14(11)16(21)19-17-13-8-6-12(7-9-13)15-10-22-20-18-15/h2-10,17H,1H3,(H,19,21)
InChIKeyZGSHLESCBXCHGS-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide (CID 2739275) is 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide is Cc1ccccc1C(=O)NNc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide?
The InChIKey is ZGSHLESCBXCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-4-2-3-5-14(11)16(21)19-17-13-8-6-12(7-9-13)15-10-22-20-18-15/h2-10,17H,1H3,(H,19,21).
What are the key properties of 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide?
2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide has a molecular weight of 310.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(thiadiazol-4-yl)phenyl]benzohydrazide is sourced from PubChem (CID 2739275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).