5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

C11H12IN3OS2 — CID 113233248

IUPAC5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2csc(I)c2)s1
InChIInChI=1S/C11H12IN3OS2/c1-6(2)3-9-14-15-11(18-9)13-10(16)7-4-8(12)17-5-7/h4-6H,3H2,1-2H3,(H,13,15,16)
InChIKeyOFXTUELHISGXBB-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.65
Rot. Bonds4

About 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide

5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 113233248) has the molecular formula C11H12IN3OS2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
PubChem CID113233248
Molecular FormulaC11H12IN3OS2
Molecular Weight393.28 g/mol
Exact Mass392.95
IUPAC Name5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2csc(I)c2)s1
InChIInChI=1S/C11H12IN3OS2/c1-6(2)3-9-14-15-11(18-9)13-10(16)7-4-8(12)17-5-7/h4-6H,3H2,1-2H3,(H,13,15,16)
InChIKeyOFXTUELHISGXBB-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
2-chloro-6-hydrazinyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 106262288
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
4-[(4-chlorophenyl)sulfamoyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647706
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
4-ethoxy-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86937929

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide (CID 113233248) is 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2csc(I)c2)s1.
What is the InChIKey of 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is OFXTUELHISGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3OS2/c1-6(2)3-9-14-15-11(18-9)13-10(16)7-4-8(12)17-5-7/h4-6H,3H2,1-2H3,(H,13,15,16).
What are the key properties of 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide?
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 113233248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).