N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

C17H14N4O2S — CID 19256575

IUPACN-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H14N4O2S/c22-14(11-18-15(23)12-7-3-1-4-8-12)19-17-21-20-16(24-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,23)(H,19,21,22)
InChIKeyBDLKCSUZVYPPNS-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.57
Rot. Bonds5

About N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (PubChem CID 19256575) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
PubChem CID19256575
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H14N4O2S/c22-14(11-18-15(23)12-7-3-1-4-8-12)19-17-21-20-16(24-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,23)(H,19,21,22)
InChIKeyBDLKCSUZVYPPNS-UHFFFAOYSA-N
XLogP2.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
N-butan-2-yl-N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 42737061
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 86891581

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (CID 19256575) is N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The InChIKey is BDLKCSUZVYPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-14(11-18-15(23)12-7-3-1-4-8-12)19-17-21-20-16(24-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,23)(H,19,21,22).
What are the key properties of N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 19256575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).