N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

C19H14BrClN6OS — CID 43837019

IUPACN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C19H14BrClN6OS/c1-11-17(9-12-2-7-15(20)16(21)8-12)29-19(23-11)24-18(28)13-3-5-14(6-4-13)27-10-22-25-26-27/h2-8,10H,9H2,1H3,(H,23,24,28)
InChIKeyCLDAMXSHHRFMNR-UHFFFAOYSA-N
MW489.79 g/mol
LogP4.69
Rot. Bonds5

About N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 43837019) has the molecular formula C19H14BrClN6OS and a molecular weight of 489.79 g/mol. Its IUPAC name is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID43837019
Molecular FormulaC19H14BrClN6OS
Molecular Weight489.79 g/mol
Exact Mass487.98
IUPAC NameN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C19H14BrClN6OS/c1-11-17(9-12-2-7-15(20)16(21)8-12)29-19(23-11)24-18(28)13-3-5-14(6-4-13)27-10-22-25-26-27/h2-8,10H,9H2,1H3,(H,23,24,28)
InChIKeyCLDAMXSHHRFMNR-UHFFFAOYSA-N
XLogP4.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide 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-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 43837031
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 43837307
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 43836582
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836600
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43836942
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 43836798
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 43837141
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 7465223
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 43837019) is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is CLDAMXSHHRFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN6OS/c1-11-17(9-12-2-7-15(20)16(21)8-12)29-19(23-11)24-18(28)13-3-5-14(6-4-13)27-10-22-25-26-27/h2-8,10H,9H2,1H3,(H,23,24,28).
What are the key properties of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 489.79 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43837019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).