4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide

C18H17N5OS — CID 7293455

IUPAC4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide
SMILESCc1ccccc1/N=N/c1ccc(NC(=O)c2snnc2C)c(C)c1
InChIInChI=1S/C18H17N5OS/c1-11-6-4-5-7-16(11)22-21-14-8-9-15(12(2)10-14)19-18(24)17-13(3)20-23-25-17/h4-10H,1-3H3,(H,19,24)/b22-21+
InChIKeyWGIVIUGKDPIELW-QURGRASLSA-N
MW351.44 g/mol
LogP5.13
Rot. Bonds4

About 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide

4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide (PubChem CID 7293455) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide
PubChem CID7293455
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide
SMILESCc1ccccc1/N=N/c1ccc(NC(=O)c2snnc2C)c(C)c1
InChIInChI=1S/C18H17N5OS/c1-11-6-4-5-7-16(11)22-21-14-8-9-15(12(2)10-14)19-18(24)17-13(3)20-23-25-17/h4-10H,1-3H3,(H,19,24)/b22-21+
InChIKeyWGIVIUGKDPIELW-QURGRASLSA-N
XLogP5.13
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide (CID 7293455) is 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide is Cc1ccccc1/N=N/c1ccc(NC(=O)c2snnc2C)c(C)c1.
What is the InChIKey of 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is WGIVIUGKDPIELW-QURGRASLSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-11-6-4-5-7-16(11)22-21-14-8-9-15(12(2)10-14)19-18(24)17-13(3)20-23-25-17/h4-10H,1-3H3,(H,19,24)/b22-21+.
What are the key properties of 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 7293455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).