2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C10H5F3IN3OS — CID 3386345

IUPAC2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1I
InChIInChI=1S/C10H5F3IN3OS/c11-10(12,13)8-16-17-9(19-8)15-7(18)5-3-1-2-4-6(5)14/h1-4H,(H,15,17,18)
InChIKeyGTCRVYNUPPPHLU-UHFFFAOYSA-N
MW399.14 g/mol
LogP3.41
Rot. Bonds2

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

2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3386345) has the molecular formula C10H5F3IN3OS and a molecular weight of 399.14 g/mol. Its IUPAC name is 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3386345
Molecular FormulaC10H5F3IN3OS
Molecular Weight399.14 g/mol
Exact Mass398.92
IUPAC Name2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1I
InChIInChI=1S/C10H5F3IN3OS/c11-10(12,13)8-16-17-9(19-8)15-7(18)5-3-1-2-4-6(5)14/h1-4H,(H,15,17,18)
InChIKeyGTCRVYNUPPPHLU-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.14
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
CID 71891755
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 78873186
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
5-methyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 92595661
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3386345) is 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GTCRVYNUPPPHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3IN3OS/c11-10(12,13)8-16-17-9(19-8)15-7(18)5-3-1-2-4-6(5)14/h1-4H,(H,15,17,18).
What are the key properties of 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 399.14 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3386345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).