4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide

C15H12N4O2S — CID 2813434

IUPAC4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12N4O2S/c1-9-13(22-19-16-9)15(21)18-17-14(20)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyYWBVYUWACFSHEN-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.07
Rot. Bonds2

About 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide

4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide (PubChem CID 2813434) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide
PubChem CID2813434
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12N4O2S/c1-9-13(22-19-16-9)15(21)18-17-14(20)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyYWBVYUWACFSHEN-UHFFFAOYSA-N
XLogP2.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.07
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 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide (CID 2813434) is 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide?
The InChIKey is YWBVYUWACFSHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-9-13(22-19-16-9)15(21)18-17-14(20)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide?
4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide has a molecular weight of 312.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(naphthalene-1-carbonyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 2813434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).