N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide

C16H13N3OS — CID 13131302

IUPACN-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide
SMILESCn1sc(-c2ccccc2)n/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-19-16(17-14(20)12-8-4-2-5-9-12)18-15(21-19)13-10-6-3-7-11-13/h2-11H,1H3/b17-16+
InChIKeyHHHASISNIQUCLY-WUKNDPDISA-N
MW295.37 g/mol
LogP2.89
Rot. Bonds2

About N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide

N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide (PubChem CID 13131302) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide
PubChem CID13131302
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide
SMILESCn1sc(-c2ccccc2)n/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-19-16(17-14(20)12-8-4-2-5-9-12)18-15(21-19)13-10-6-3-7-11-13/h2-11H,1H3/b17-16+
InChIKeyHHHASISNIQUCLY-WUKNDPDISA-N
XLogP2.89
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide?
The IUPAC name of N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide (CID 13131302) is N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide.
What is the SMILES notation for N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide?
The canonical SMILES for N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide is Cn1sc(-c2ccccc2)n/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide?
The InChIKey is HHHASISNIQUCLY-WUKNDPDISA-N. The full InChI is InChI=1S/C16H13N3OS/c1-19-16(17-14(20)12-8-4-2-5-9-12)18-15(21-19)13-10-6-3-7-11-13/h2-11H,1H3/b17-16+.
What are the key properties of N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide?
N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide has a molecular weight of 295.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-phenyl-1,2,4-thiadiazol-3-ylidene)benzamide is sourced from PubChem (CID 13131302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).