N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

C20H23ClN4O3S2 — CID 10115912

IUPACN-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)N1CCN(C(=O)C(Cc2cscn2)NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN4O3S2/c1-14(26)24-6-8-25(9-7-24)20(28)18(10-16-11-29-13-22-16)23-19(27)12-30-17-4-2-15(21)3-5-17/h2-5,11,13,18H,6-10,12H2,1H3,(H,23,27)
InChIKeyBONBAUFFEMPCSL-UHFFFAOYSA-N
MW467.02 g/mol
LogP2.31
Rot. Bonds7

About N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 10115912) has the molecular formula C20H23ClN4O3S2 and a molecular weight of 467.02 g/mol. Its IUPAC name is N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID10115912
Molecular FormulaC20H23ClN4O3S2
Molecular Weight467.02 g/mol
Exact Mass466.09
IUPAC NameN-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCC(=O)N1CCN(C(=O)C(Cc2cscn2)NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN4O3S2/c1-14(26)24-6-8-25(9-7-24)20(28)18(10-16-11-29-13-22-16)23-19(27)12-30-17-4-2-15(21)3-5-17/h2-5,11,13,18H,6-10,12H2,1H3,(H,23,27)
InChIKeyBONBAUFFEMPCSL-UHFFFAOYSA-N
XLogP2.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[1-[2-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]acetamide
CID 10204465
tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
CID 91120666
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388467
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-hydroxyphenyl)sulfanylacetamide
CID 55837152
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]acetamide
CID 124754655
2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55325957
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (CID 10115912) is N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is CC(=O)N1CCN(C(=O)C(Cc2cscn2)NC(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is BONBAUFFEMPCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S2/c1-14(26)24-6-8-25(9-7-24)20(28)18(10-16-11-29-13-22-16)23-19(27)12-30-17-4-2-15(21)3-5-17/h2-5,11,13,18H,6-10,12H2,1H3,(H,23,27).
What are the key properties of N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 467.02 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 10115912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).