N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

C16H9BrCl2N2OS — CID 19195083

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9BrCl2N2OS/c17-11-3-1-2-9(6-11)14-8-23-16(20-14)21-15(22)10-4-5-12(18)13(19)7-10/h1-8H,(H,20,21,22)
InChIKeyDLVSGSRIKIRCOO-UHFFFAOYSA-N
MW428.14 g/mol
LogP6.13
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (PubChem CID 19195083) has the molecular formula C16H9BrCl2N2OS and a molecular weight of 428.14 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
PubChem CID19195083
Molecular FormulaC16H9BrCl2N2OS
Molecular Weight428.14 g/mol
Exact Mass425.90
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H9BrCl2N2OS/c17-11-3-1-2-9(6-11)14-8-23-16(20-14)21-15(22)10-4-5-12(18)13(19)7-10/h1-8H,(H,20,21,22)
InChIKeyDLVSGSRIKIRCOO-UHFFFAOYSA-N
XLogP6.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.14
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide 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-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (CID 19195083) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The InChIKey is DLVSGSRIKIRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2OS/c17-11-3-1-2-9(6-11)14-8-23-16(20-14)21-15(22)10-4-5-12(18)13(19)7-10/h1-8H,(H,20,21,22).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide has a molecular weight of 428.14 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 19195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).