N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide

C17H15N3OS — CID 7293432

IUPACN-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-16(22-20-19-12)17(21)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyFURAHBLBGIETDX-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.69
Rot. Bonds4

About N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide

N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7293432) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7293432
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-16(22-20-19-12)17(21)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyFURAHBLBGIETDX-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-(3-chloro-2-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850800
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 850235
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 2804290
4-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]thiadiazole-5-carboxamide
CID 2804307
N-(4-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 850832
N-(2-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850831
4-methyl-N-(2-(trifluoromethyl)phenyl)-1,2,3-thiadiazole-5-carboxamide
CID 7293419
4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide
CID 7293455
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide (CID 7293432) is N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FURAHBLBGIETDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-16(22-20-19-12)17(21)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).