2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C11H11ClN4OS — CID 82546737

IUPAC2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(Cl)c2N)s1
InChIInChI=1S/C11H11ClN4OS/c1-2-8-15-16-11(18-8)14-10(17)6-4-3-5-7(12)9(6)13/h3-5H,2,13H2,1H3,(H,14,16,17)
InChIKeySWTDQGFCUVCFPP-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 82546737) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID82546737
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(Cl)c2N)s1
InChIInChI=1S/C11H11ClN4OS/c1-2-8-15-16-11(18-8)14-10(17)6-4-3-5-7(12)9(6)13/h3-5H,2,13H2,1H3,(H,14,16,17)
InChIKeySWTDQGFCUVCFPP-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 5168739
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 82546737) is 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cccc(Cl)c2N)s1.
What is the InChIKey of 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SWTDQGFCUVCFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-2-8-15-16-11(18-8)14-10(17)6-4-3-5-7(12)9(6)13/h3-5H,2,13H2,1H3,(H,14,16,17).
What are the key properties of 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 282.76 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 82546737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).