5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide

C17H17BrClN3O2S — CID 43964602

IUPAC5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1ccc(Br)o1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C17H17BrClN3O2S/c1-21(2)9-4-10-22(16(23)12-7-8-14(18)24-12)17-20-15-11(19)5-3-6-13(15)25-17/h3,5-8H,4,9-10H2,1-2H3
InChIKeyVIVXCGYQJPVZGW-UHFFFAOYSA-N
MW442.77 g/mol
LogP4.90
Rot. Bonds6

About 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide

5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide (PubChem CID 43964602) has the molecular formula C17H17BrClN3O2S and a molecular weight of 442.77 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide
PubChem CID43964602
Molecular FormulaC17H17BrClN3O2S
Molecular Weight442.77 g/mol
Exact Mass440.99
IUPAC Name5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1ccc(Br)o1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C17H17BrClN3O2S/c1-21(2)9-4-10-22(16(23)12-7-8-14(18)24-12)17-20-15-11(19)5-3-6-13(15)25-17/h3,5-8H,4,9-10H2,1-2H3
InChIKeyVIVXCGYQJPVZGW-UHFFFAOYSA-N
XLogP4.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.77
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-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-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
CID 16808818
4-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43963928
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylacetamide
CID 7512489
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide;hydrochloride
CID 44930542
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 16847905
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfanylbenzamide
CID 7580318
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44931607
methyl 4-[(4-chloro-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate;hydrochloride
CID 16808825
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]cyclopentanecarboxamide
CID 43964658
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxybenzamide
CID 7208911
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitrobenzamide
CID 41347706
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4-dimethoxybenzamide
CID 16808820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide (CID 43964602) is 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide is CN(C)CCCN(C(=O)c1ccc(Br)o1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide?
The InChIKey is VIVXCGYQJPVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O2S/c1-21(2)9-4-10-22(16(23)12-7-8-14(18)24-12)17-20-15-11(19)5-3-6-13(15)25-17/h3,5-8H,4,9-10H2,1-2H3.
What are the key properties of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide?
5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide has a molecular weight of 442.77 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 43964602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).