N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide

C22H24BrN3OS — CID 29049968

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide
SMILESCCCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C22H24BrN3OS/c1-3-4-16-5-7-17(8-6-16)15(2)24-13-21(27)26-22-25-20(14-28-22)18-9-11-19(23)12-10-18/h5-12,14-15,24H,3-4,13H2,1-2H3,(H,25,26,27)/t15-/m1/s1
InChIKeyNLZOIMZWGMSLFK-OAHLLOKOSA-N
MW458.43 g/mol
LogP5.81
Rot. Bonds8

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide (PubChem CID 29049968) has the molecular formula C22H24BrN3OS and a molecular weight of 458.43 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide
PubChem CID29049968
Molecular FormulaC22H24BrN3OS
Molecular Weight458.43 g/mol
Exact Mass457.08
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide
SMILESCCCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C22H24BrN3OS/c1-3-4-16-5-7-17(8-6-16)15(2)24-13-21(27)26-22-25-20(14-28-22)18-9-11-19(23)12-10-18/h5-12,14-15,24H,3-4,13H2,1-2H3,(H,25,26,27)/t15-/m1/s1
InChIKeyNLZOIMZWGMSLFK-OAHLLOKOSA-N
XLogP5.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3483878
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17405097
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716034
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide (CID 29049968) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide is CCCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide?
The InChIKey is NLZOIMZWGMSLFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24BrN3OS/c1-3-4-16-5-7-17(8-6-16)15(2)24-13-21(27)26-22-25-20(14-28-22)18-9-11-19(23)12-10-18/h5-12,14-15,24H,3-4,13H2,1-2H3,(H,25,26,27)/t15-/m1/s1.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide has a molecular weight of 458.43 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 29049968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).