N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H15BrN2O2S — CID 8926941

IUPACN-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OCc3cscn3)cc2)ccc1Br
InChIInChI=1S/C18H15BrN2O2S/c1-12-8-14(4-7-17(12)19)21-18(22)13-2-5-16(6-3-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyTWLPIZYXYYCKOF-UHFFFAOYSA-N
MW403.30 g/mol
LogP5.05
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 8926941) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID8926941
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1cc(NC(=O)c2ccc(OCc3cscn3)cc2)ccc1Br
InChIInChI=1S/C18H15BrN2O2S/c1-12-8-14(4-7-17(12)19)21-18(22)13-2-5-16(6-3-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyTWLPIZYXYYCKOF-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.30
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9453652
N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24514926
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 8926941) is N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1cc(NC(=O)c2ccc(OCc3cscn3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is TWLPIZYXYYCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-12-8-14(4-7-17(12)19)21-18(22)13-2-5-16(6-3-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 403.30 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 8926941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).