N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide

C21H15BrN2OS — CID 16849308

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C21H15BrN2OS/c22-18-9-7-16(8-10-18)19-13-26-21(23-19)24-20(25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2,(H,23,24,25)
InChIKeyYERCJCAXRWMWJB-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.91
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 16849308) has the molecular formula C21H15BrN2OS and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID16849308
Molecular FormulaC21H15BrN2OS
Molecular Weight423.34 g/mol
Exact Mass422.01
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C21H15BrN2OS/c22-18-9-7-16(8-10-18)19-13-26-21(23-19)24-20(25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2,(H,23,24,25)
InChIKeyYERCJCAXRWMWJB-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
2-naphthalen-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 16849310
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-[4-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712249
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 4643848
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide (CID 16849308) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is YERCJCAXRWMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2OS/c22-18-9-7-16(8-10-18)19-13-26-21(23-19)24-20(25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2,(H,23,24,25).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 423.34 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).