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

C18H15BrN2OS — CID 2130333

IUPAC4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(Br)cc3)s2)c1
InChIInChI=1S/C18H15BrN2OS/c1-12-3-2-4-13(9-12)10-16-11-20-18(23-16)21-17(22)14-5-7-15(19)8-6-14/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyHEDOHSUIIGVMSJ-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.06
Rot. Bonds4

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

4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 2130333) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID2130333
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(Br)cc3)s2)c1
InChIInChI=1S/C18H15BrN2OS/c1-12-3-2-4-13(9-12)10-16-11-20-18(23-16)21-17(22)14-5-7-15(19)8-6-14/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyHEDOHSUIIGVMSJ-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 7535959
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
N-methyl-4-[[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]methyl]benzamide
CID 37215568
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
CID 16650641
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 2130333) is 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1cccc(Cc2cnc(NC(=O)c3ccc(Br)cc3)s2)c1.
What is the InChIKey of 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HEDOHSUIIGVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c1-12-3-2-4-13(9-12)10-16-11-20-18(23-16)21-17(22)14-5-7-15(19)8-6-14/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 387.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2130333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).