N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C16H26N4O2S — CID 125174351

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)n1
InChIInChI=1S/C16H26N4O2S/c1-11(2)20-8-7-18-16(22)13(20)9-14(21)17-6-4-5-15-19-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m1/s1
InChIKeyCUBLWSDLGGZMBI-CYBMUJFWSA-N
MW338.48 g/mol
LogP1.10
Rot. Bonds7

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 125174351) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID125174351
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCc1csc(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)n1
InChIInChI=1S/C16H26N4O2S/c1-11(2)20-8-7-18-16(22)13(20)9-14(21)17-6-4-5-15-19-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m1/s1
InChIKeyCUBLWSDLGGZMBI-CYBMUJFWSA-N
XLogP1.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
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
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 118762697
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484
3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
CID 91840007
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95129660
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 125174351) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is Cc1csc(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is CUBLWSDLGGZMBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11(2)20-8-7-18-16(22)13(20)9-14(21)17-6-4-5-15-19-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,22)/t13-/m1/s1.
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 338.48 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 125174351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).