N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide

C11H11ClN4OS — CID 106193043

IUPACN-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide
SMILESO=C(CNc1nsnc1Cl)NCc1ccccc1
InChIInChI=1S/C11H11ClN4OS/c12-10-11(16-18-15-10)14-7-9(17)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H,14,16)
InChIKeyICQMTVCRPSLOCX-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.92
Rot. Bonds5

About N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide

N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide (PubChem CID 106193043) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide
PubChem CID106193043
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide
SMILESO=C(CNc1nsnc1Cl)NCc1ccccc1
InChIInChI=1S/C11H11ClN4OS/c12-10-11(16-18-15-10)14-7-9(17)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H,14,16)
InChIKeyICQMTVCRPSLOCX-UHFFFAOYSA-N
XLogP1.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 106193036
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
N-benzyl-2-[(3-cyanopyrazin-2-yl)amino]acetamide
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N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N-[(4-chlorophenyl)methyl]-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085196
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815218
N-benzyl-3-chloropropanamide
CID 10391
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide (CID 106193043) is N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide is O=C(CNc1nsnc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide?
The InChIKey is ICQMTVCRPSLOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-10-11(16-18-15-10)14-7-9(17)13-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H,14,16).
What are the key properties of N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide?
N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide has a molecular weight of 282.76 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]acetamide is sourced from PubChem (CID 106193043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).