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

C18H14BrClN2OS — CID 71795631

IUPAC2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C18H14BrClN2OS/c1-11-16(10-21-17(23)12-6-2-4-8-14(12)19)24-18(22-11)13-7-3-5-9-15(13)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyNTCXTMHFLQNTDA-UHFFFAOYSA-N
MW421.75 g/mol
LogP5.46
Rot. Bonds4

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

2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide (PubChem CID 71795631) has the molecular formula C18H14BrClN2OS and a molecular weight of 421.75 g/mol. Its IUPAC name is 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
PubChem CID71795631
Molecular FormulaC18H14BrClN2OS
Molecular Weight421.75 g/mol
Exact Mass419.97
IUPAC Name2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1Br
InChIInChI=1S/C18H14BrClN2OS/c1-11-16(10-21-17(23)12-6-2-4-8-14(12)19)24-18(22-11)13-7-3-5-9-15(13)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyNTCXTMHFLQNTDA-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 121123189
2-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-nitrobenzamide
CID 121123062
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121123180
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121123145
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 121123057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide (CID 71795631) is 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
The InChIKey is NTCXTMHFLQNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2OS/c1-11-16(10-21-17(23)12-6-2-4-8-14(12)19)24-18(22-11)13-7-3-5-9-15(13)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide?
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide has a molecular weight of 421.75 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 71795631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).