N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide

C17H15N3OS — CID 745401

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H15N3OS/c1-2-15-19-20-17(22-15)18-16(21)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeyLAXIADWQKSWBFE-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.02
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide (PubChem CID 745401) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
PubChem CID745401
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H15N3OS/c1-2-15-19-20-17(22-15)18-16(21)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeyLAXIADWQKSWBFE-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 2963228
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 17311359
3-(5-benzamido-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82058157

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide (CID 745401) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide is CCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide?
The InChIKey is LAXIADWQKSWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-15-19-20-17(22-15)18-16(21)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide has a molecular weight of 309.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 745401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).