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

C12H12BrIN2S — CID 114259232

IUPAC5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1cc(Br)ccc1I
InChIInChI=1S/C12H12BrIN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(13)3-4-10(11)14/h3-6,8,16H,1-2H3
InChIKeyLXGQIQCQHGPKID-UHFFFAOYSA-N
MW423.12 g/mol
LogP4.99
Rot. Bonds3

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

5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 114259232) has the molecular formula C12H12BrIN2S and a molecular weight of 423.12 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID114259232
Molecular FormulaC12H12BrIN2S
Molecular Weight423.12 g/mol
Exact Mass421.89
IUPAC Name5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1C(C)Nc1cc(Br)ccc1I
InChIInChI=1S/C12H12BrIN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(13)3-4-10(11)14/h3-6,8,16H,1-2H3
InChIKeyLXGQIQCQHGPKID-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline 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

4-bromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-nitroaniline
CID 43791229
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103936659
2,4-dibromo-5-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 103411305
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
5-bromo-2-iodo-N-[1-(3-methylphenyl)ethyl]aniline
CID 114259416
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 114259232) is 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1C(C)Nc1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is LXGQIQCQHGPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrIN2S/c1-7-12(17-6-15-7)8(2)16-11-5-9(13)3-4-10(11)14/h3-6,8,16H,1-2H3.
What are the key properties of 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 423.12 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 114259232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).