N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide

C19H24N4O2S — CID 42932037

IUPACN-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14(2)16(21-17(24)15-6-4-3-5-7-15)18(25)22-9-11-23(12-10-22)19-20-8-13-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,21,24)
InChIKeySINLPHBVMDQWPX-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.25
Rot. Bonds5

About N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 42932037) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
PubChem CID42932037
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14(2)16(21-17(24)15-6-4-3-5-7-15)18(25)22-9-11-23(12-10-22)19-20-8-13-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,21,24)
InChIKeySINLPHBVMDQWPX-UHFFFAOYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289843
4-fluoro-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289845
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide
CID 42705995
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
2-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 23739700
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 35807041
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)butan-2-yl]benzamide
CID 97306629

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide (CID 42932037) is N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is SINLPHBVMDQWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14(2)16(21-17(24)15-6-4-3-5-7-15)18(25)22-9-11-23(12-10-22)19-20-8-13-26-19/h3-8,13-14,16H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 42932037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).