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

C19H17ClN4O2S — CID 1445672

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-16-9-5-4-8-15(16)11-24(19(26)17-13-27-23-22-17)12-18(25)21-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,25)
InChIKeyMBYVNUVQFXIRDY-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.15
Rot. Bonds7

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

N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 1445672) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide
PubChem CID1445672
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-16-9-5-4-8-15(16)11-24(19(26)17-13-27-23-22-17)12-18(25)21-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,25)
InChIKeyMBYVNUVQFXIRDY-UHFFFAOYSA-N
XLogP3.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
[1,2,3]Thiadiazole-4-carboxylic acid (5-chloro-2-methyl-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 3222122
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-(phenethylcarbamoyl-methyl)-amide
CID 24793345
[1,2,3]Thiadiazole-4-carboxylic acid, (benzylcarbamoylmethyl)-(2-fluorophenyl)amide
CID 24792434
[1,2,3]Thiadiazole-4-carboxylic acid allyl-(cyclohexylcarbamoyl-phenyl-methyl)-amide
CID 3219472
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-4-fluoro-phenyl)-[(4-fluoro-benzylcarbamoyl)-methyl]-amide
CID 24792527

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide (CID 1445672) is N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide is O=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is MBYVNUVQFXIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-16-9-5-4-8-15(16)11-24(19(26)17-13-27-23-22-17)12-18(25)21-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,25).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1445672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).