N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine

C14H10BrClN2S — CID 54937658

IUPACN-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrClN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyWFIGAODFFTYXQP-UHFFFAOYSA-N
MW353.67 g/mol
LogP5.32
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine

N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine (PubChem CID 54937658) has the molecular formula C14H10BrClN2S and a molecular weight of 353.67 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
PubChem CID54937658
Molecular FormulaC14H10BrClN2S
Molecular Weight353.67 g/mol
Exact Mass351.94
IUPAC NameN-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
SMILESClc1ccc2sc(NCc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrClN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyWFIGAODFFTYXQP-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.67
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine 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-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375173
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 103293072
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine (CID 54937658) is N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine is Clc1ccc2sc(NCc3ccc(Br)cc3)nc2c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine?
The InChIKey is WFIGAODFFTYXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine?
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine has a molecular weight of 353.67 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54937658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).