N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline

C11H10BrClN2S — CID 115921611

IUPACN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
SMILESCC(Nc1ccc(Cl)cc1)c1ncc(Br)s1
InChIInChI=1S/C11H10BrClN2S/c1-7(11-14-6-10(12)16-11)15-9-4-2-8(13)3-5-9/h2-7,15H,1H3
InChIKeyBPKMMNVUDOXBIM-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline (PubChem CID 115921611) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
PubChem CID115921611
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
SMILESCC(Nc1ccc(Cl)cc1)c1ncc(Br)s1
InChIInChI=1S/C11H10BrClN2S/c1-7(11-14-6-10(12)16-11)15-9-4-2-8(13)3-5-9/h2-7,15H,1H3
InChIKeyBPKMMNVUDOXBIM-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline 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-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
CID 115921585
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115916939
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine
CID 115917033
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
5-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole
CID 126761413
3-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 115769910

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline?
The IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline (CID 115921611) is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline.
What is the SMILES notation for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline?
The canonical SMILES for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline is CC(Nc1ccc(Cl)cc1)c1ncc(Br)s1.
What is the InChIKey of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline?
The InChIKey is BPKMMNVUDOXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-7(11-14-6-10(12)16-11)15-9-4-2-8(13)3-5-9/h2-7,15H,1H3.
What are the key properties of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline?
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline has a molecular weight of 317.64 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline is sourced from PubChem (CID 115921611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).