2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C19H26N4O3S — CID 124754979

IUPAC2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)n1
InChIInChI=1S/C19H26N4O3S/c1-13-12-27-18(22-13)4-3-7-20-17(24)10-16-19(25)21-8-9-23(16)11-15-6-5-14(2)26-15/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyPIGLXIFJDUWXDK-INIZCTEOSA-N
MW390.51 g/mol
LogP1.79
Rot. Bonds8

About 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 124754979) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID124754979
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)n1
InChIInChI=1S/C19H26N4O3S/c1-13-12-27-18(22-13)4-3-7-20-17(24)10-16-19(25)21-8-9-23(16)11-15-6-5-14(2)26-15/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyPIGLXIFJDUWXDK-INIZCTEOSA-N
XLogP1.79
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 95718993
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 26331261
(3S)-4-[(5-methylfuran-2-yl)methyl]-3-[2-oxo-2-[3-(1,3-thiazol-2-yl)azetidin-1-yl]ethyl]piperazin-2-one
CID 125176564
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
N-methyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 45185862
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45244015
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42403577

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 124754979) is 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1csc(CCCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)o2)n1.
What is the InChIKey of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is PIGLXIFJDUWXDK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-12-27-18(22-13)4-3-7-20-17(24)10-16-19(25)21-8-9-23(16)11-15-6-5-14(2)26-15/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,20,24)(H,21,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 124754979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).