4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C10H9BrN4OS — CID 43641260

IUPAC4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C10H9BrN4OS/c11-6-3-8(15(4-6)7-1-2-7)9(16)13-10-14-12-5-17-10/h3-5,7H,1-2H2,(H,13,14,16)
InChIKeyWFXKUQJHIXJPHZ-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.69
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 43641260) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID43641260
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C10H9BrN4OS/c11-6-3-8(15(4-6)7-1-2-7)9(16)13-10-14-12-5-17-10/h3-5,7H,1-2H2,(H,13,14,16)
InChIKeyWFXKUQJHIXJPHZ-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-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

N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
CID 62903302
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113433723
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 43641260) is 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(Nc1nncs1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is WFXKUQJHIXJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-6-3-8(15(4-6)7-1-2-7)9(16)13-10-14-12-5-17-10/h3-5,7H,1-2H2,(H,13,14,16).
What are the key properties of 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).