N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide

C14H10BrN3O2S — CID 28861401

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C14H10BrN3O2S/c15-12-6-5-11(20-12)13(19)18-14-17-10(7-21-14)8-1-3-9(16)4-2-8/h1-7H,16H2,(H,17,18,19)
InChIKeyFSFRRBMNPDKGGO-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.00
Rot. Bonds3

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide (PubChem CID 28861401) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
PubChem CID28861401
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C14H10BrN3O2S/c15-12-6-5-11(20-12)13(19)18-14-17-10(7-21-14)8-1-3-9(16)4-2-8/h1-7H,16H2,(H,17,18,19)
InChIKeyFSFRRBMNPDKGGO-UHFFFAOYSA-N
XLogP4.00
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-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

5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39768846

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide (CID 28861401) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide is Nc1ccc(-c2csc(NC(=O)c3ccc(Br)o3)n2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?
The InChIKey is FSFRRBMNPDKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-12-6-5-11(20-12)13(19)18-14-17-10(7-21-14)8-1-3-9(16)4-2-8/h1-7H,16H2,(H,17,18,19).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide has a molecular weight of 364.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 28861401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).