3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide

C11H8Cl2IN3OS — CID 5168739

IUPAC3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2I)s1
InChIInChI=1S/C11H8Cl2IN3OS/c1-2-8-16-17-11(19-8)15-10(18)6-3-5(12)4-7(13)9(6)14/h3-4H,2H2,1H3,(H,15,17,18)
InChIKeyNSKLUGBSRHJIFH-UHFFFAOYSA-N
MW428.08 g/mol
LogP4.26
Rot. Bonds3

About 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide

3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide (PubChem CID 5168739) has the molecular formula C11H8Cl2IN3OS and a molecular weight of 428.08 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
PubChem CID5168739
Molecular FormulaC11H8Cl2IN3OS
Molecular Weight428.08 g/mol
Exact Mass426.88
IUPAC Name3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2I)s1
InChIInChI=1S/C11H8Cl2IN3OS/c1-2-8-16-17-11(19-8)15-10(18)6-3-5(12)4-7(13)9(6)14/h3-4H,2H2,1H3,(H,15,17,18)
InChIKeyNSKLUGBSRHJIFH-UHFFFAOYSA-N
XLogP4.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506394
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
CID 82176238
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
2,4-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
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
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide (CID 5168739) is 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide is CCc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2I)s1.
What is the InChIKey of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
The InChIKey is NSKLUGBSRHJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2IN3OS/c1-2-8-16-17-11(19-8)15-10(18)6-3-5(12)4-7(13)9(6)14/h3-4H,2H2,1H3,(H,15,17,18).
What are the key properties of 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide?
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide has a molecular weight of 428.08 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 5168739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).