2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide

C10H4Cl5N3OS — CID 13041524

IUPAC2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(C(Cl)(Cl)Cl)ns1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H4Cl5N3OS/c11-4-1-2-5(6(12)3-4)7(19)16-9-17-8(18-20-9)10(13,14)15/h1-3H,(H,16,17,18,19)
InChIKeyUABAEOBFMDHOAV-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.92
Rot. Bonds2

About 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide

2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 13041524) has the molecular formula C10H4Cl5N3OS and a molecular weight of 391.49 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID13041524
Molecular FormulaC10H4Cl5N3OS
Molecular Weight391.49 g/mol
Exact Mass388.85
IUPAC Name2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(C(Cl)(Cl)Cl)ns1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H4Cl5N3OS/c11-4-1-2-5(6(12)3-4)7(19)16-9-17-8(18-20-9)10(13,14)15/h1-3H,(H,16,17,18,19)
InChIKeyUABAEOBFMDHOAV-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319637
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
N-(cyclopropylmethyl)-2-[(2,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114064
4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 154799929
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 13041524) is 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide is O=C(Nc1nc(C(Cl)(Cl)Cl)ns1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is UABAEOBFMDHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl5N3OS/c11-4-1-2-5(6(12)3-4)7(19)16-9-17-8(18-20-9)10(13,14)15/h1-3H,(H,16,17,18,19).
What are the key properties of 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide?
2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 13041524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).