N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide

C11H11ClN4OS — CID 82176351

IUPACN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
SMILESCC(N)c1nnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-6(13)10-15-16-11(18-10)14-9(17)7-4-2-3-5-8(7)12/h2-6H,13H2,1H3,(H,14,16,17)
InChIKeyRRQUXAVSAZVUDJ-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.46
Rot. Bonds3

About N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide

N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide (PubChem CID 82176351) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
PubChem CID82176351
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
SMILESCC(N)c1nnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-6(13)10-15-16-11(18-10)14-9(17)7-4-2-3-5-8(7)12/h2-6H,13H2,1H3,(H,14,16,17)
InChIKeyRRQUXAVSAZVUDJ-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 133201796
2-chloro-N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100766365
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 82176383
2-chloro-N-[5-(pentan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 133178488
2-chloro-N-[5-[1-(4-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133202722
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
3,5-dichloro-2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506394

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide (CID 82176351) is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is CC(N)c1nnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The InChIKey is RRQUXAVSAZVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6(13)10-15-16-11(18-10)14-9(17)7-4-2-3-5-8(7)12/h2-6H,13H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide has a molecular weight of 282.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 82176351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).