N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C19H18N4O2S — CID 1445658

IUPACN-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c24-18(20-11-15-7-3-1-4-8-15)13-23(12-16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24)
InChIKeyRBXOMEDDLBBSIA-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.50
Rot. Bonds7

About N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 1445658) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID1445658
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c24-18(20-11-15-7-3-1-4-8-15)13-23(12-16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24)
InChIKeyRBXOMEDDLBBSIA-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid (tert-butylcarbamoyl-p-tolyl-methyl)-cyclopropyl-amide
CID 3219449
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid cyclopropyl-(phenethylcarbamoyl-thiophen-2-yl-methyl)-amide
CID 654825
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219191
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 1445658) is N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide is O=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is RBXOMEDDLBBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(20-11-15-7-3-1-4-8-15)13-23(12-16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24).
What are the key properties of N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(benzylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).