2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

C10H7Br2N3OS2 — CID 86962950

IUPAC2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(Br)sc1Br
InChIInChI=1S/C10H7Br2N3OS2/c11-6-3-5(7(12)17-6)8(16)13-10-15-14-9(18-10)4-1-2-4/h3-4H,1-2H2,(H,13,15,16)
InChIKeyDGEMQQWTZMKZNH-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.25
Rot. Bonds3

About 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 86962950) has the molecular formula C10H7Br2N3OS2 and a molecular weight of 409.13 g/mol. Its IUPAC name is 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
PubChem CID86962950
Molecular FormulaC10H7Br2N3OS2
Molecular Weight409.13 g/mol
Exact Mass406.84
IUPAC Name2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(Br)sc1Br
InChIInChI=1S/C10H7Br2N3OS2/c11-6-3-5(7(12)17-6)8(16)13-10-15-14-9(18-10)4-1-2-4/h3-4H,1-2H2,(H,13,15,16)
InChIKeyDGEMQQWTZMKZNH-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
4-bromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 8502998
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 29412307
4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 29412076
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
CID 2814043

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (CID 86962950) is 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is DGEMQQWTZMKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3OS2/c11-6-3-5(7(12)17-6)8(16)13-10-15-14-9(18-10)4-1-2-4/h3-4H,1-2H2,(H,13,15,16).
What are the key properties of 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 409.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 86962950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).