N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C23H33N5O2S — CID 78807716

IUPACN-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN3CCN(CC(=O)NC(C)C)CC3)cs2)c1
InChIInChI=1S/C23H33N5O2S/c1-16(2)24-22(30)14-28-9-7-27(8-10-28)13-19-15-31-23(25-19)12-21(29)26-20-11-17(3)5-6-18(20)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,24,30)(H,26,29)
InChIKeyRYNBKKVRDLVFBH-UHFFFAOYSA-N
MW443.62 g/mol
LogP2.58
Rot. Bonds8

About N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78807716) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78807716
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN3CCN(CC(=O)NC(C)C)CC3)cs2)c1
InChIInChI=1S/C23H33N5O2S/c1-16(2)24-22(30)14-28-9-7-27(8-10-28)13-19-15-31-23(25-19)12-21(29)26-20-11-17(3)5-6-18(20)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,24,30)(H,26,29)
InChIKeyRYNBKKVRDLVFBH-UHFFFAOYSA-N
XLogP2.58
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908677
N-cyclopropyl-2-[4-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 78831738
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-(2,5-dimethylphenyl)-2-[4-[(4-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 171335151
2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 78822945
N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807365
2-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 11940369
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807710
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 78807716) is N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCN(CC(=O)NC(C)C)CC3)cs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RYNBKKVRDLVFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c1-16(2)24-22(30)14-28-9-7-27(8-10-28)13-19-15-31-23(25-19)12-21(29)26-20-11-17(3)5-6-18(20)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H,24,30)(H,26,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 443.62 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78807716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).