N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

C17H11BrCl2N2OS — CID 10478504

IUPACN-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11BrCl2N2OS/c18-10-4-6-11(7-5-10)21-17(23)15-9-24-16(22-15)8-12-13(19)2-1-3-14(12)20/h1-7,9H,8H2,(H,21,23)
InChIKeyZAVRPFJTAGAZMR-UHFFFAOYSA-N
MW442.17 g/mol
LogP6.06
Rot. Bonds4

About N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 10478504) has the molecular formula C17H11BrCl2N2OS and a molecular weight of 442.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID10478504
Molecular FormulaC17H11BrCl2N2OS
Molecular Weight442.17 g/mol
Exact Mass439.92
IUPAC NameN-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11BrCl2N2OS/c18-10-4-6-11(7-5-10)21-17(23)15-9-24-16(22-15)8-12-13(19)2-1-3-14(12)20/h1-7,9H,8H2,(H,21,23)
InChIKeyZAVRPFJTAGAZMR-UHFFFAOYSA-N
XLogP6.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.17
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 21039706
2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 1472600
N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 2744454
2-[(2,6-dichlorophenyl)methyl]-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9977742
N-(4-cyanophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 10000307
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10477833
N-(4-tert-butylphenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 11742813
2-[(2,6-dichlorophenyl)methyl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 44405334
2-[(2,6-dichlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 10363943
2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 2743908
N-(3-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486911
N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486915

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 10478504) is N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZAVRPFJTAGAZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2OS/c18-10-4-6-11(7-5-10)21-17(23)15-9-24-16(22-15)8-12-13(19)2-1-3-14(12)20/h1-7,9H,8H2,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 442.17 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10478504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).