4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

C18H16N4O2S — CID 86997275

IUPAC4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-11-13-7-9-15(10-8-13)17(24)21-18-20-16(22-25-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)(H,20,21,22,24)
InChIKeyPTZOECSTXAALFU-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.09
Rot. Bonds5

About 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 86997275) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID86997275
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-11-13-7-9-15(10-8-13)17(24)21-18-20-16(22-25-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)(H,20,21,22,24)
InChIKeyPTZOECSTXAALFU-UHFFFAOYSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 86997275) is 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is PTZOECSTXAALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12(23)19-11-13-7-9-15(10-8-13)17(24)21-18-20-16(22-25-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)(H,20,21,22,24).
What are the key properties of 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 86997275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).