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

C18H15BrN2OS — CID 54774149

IUPAC2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCc1csc(-c2cccc(CNC(=O)c3ccccc3Br)c2)n1
InChIInChI=1S/C18H15BrN2OS/c1-12-11-23-18(21-12)14-6-4-5-13(9-14)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyQNTDTZDGDUSALZ-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.81
Rot. Bonds4

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

2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 54774149) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID54774149
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCc1csc(-c2cccc(CNC(=O)c3ccccc3Br)c2)n1
InChIInChI=1S/C18H15BrN2OS/c1-12-11-23-18(21-12)14-6-4-5-13(9-14)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyQNTDTZDGDUSALZ-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
2,2-dimethyl-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-5-oxooxolane-3-carboxamide
CID 91822333
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 54774149) is 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is Cc1csc(-c2cccc(CNC(=O)c3ccccc3Br)c2)n1.
What is the InChIKey of 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is QNTDTZDGDUSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c1-12-11-23-18(21-12)14-6-4-5-13(9-14)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 387.30 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 54774149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).