2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

C19H17BrN2OS — CID 7915491

IUPAC2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1C
InChIInChI=1S/C19H17BrN2OS/c1-12-3-6-15(9-13(12)2)17-11-24-19(21-17)22-18(23)10-14-4-7-16(20)8-5-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyNKCDWDJQEPINKZ-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.37
Rot. Bonds4

About 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 7915491) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID7915491
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC Name2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1C
InChIInChI=1S/C19H17BrN2OS/c1-12-3-6-15(9-13(12)2)17-11-24-19(21-17)22-18(23)10-14-4-7-16(20)8-5-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyNKCDWDJQEPINKZ-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178865
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
2-(2,4-dimethoxyphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16911637
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 55437142

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 7915491) is 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NKCDWDJQEPINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-12-3-6-15(9-13(12)2)17-11-24-19(21-17)22-18(23)10-14-4-7-16(20)8-5-14/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.33 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7915491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).