N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide

C16H26N4O3S — CID 18163268

IUPACN-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)Cn2c(C)csc2=O)CC1
InChIInChI=1S/C16H26N4O3S/c1-3-4-5-17-14(21)10-18-6-8-19(9-7-18)15(22)11-20-13(2)12-24-16(20)23/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyHJTFPFJAFYJNJQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.28
Rot. Bonds7

About N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 18163268) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID18163268
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)Cn2c(C)csc2=O)CC1
InChIInChI=1S/C16H26N4O3S/c1-3-4-5-17-14(21)10-18-6-8-19(9-7-18)15(22)11-20-13(2)12-24-16(20)23/h12H,3-11H2,1-2H3,(H,17,21)
InChIKeyHJTFPFJAFYJNJQ-UHFFFAOYSA-N
XLogP0.28
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide (CID 18163268) is N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)Cn2c(C)csc2=O)CC1.
What is the InChIKey of N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HJTFPFJAFYJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-3-4-5-17-14(21)10-18-6-8-19(9-7-18)15(22)11-20-13(2)12-24-16(20)23/h12H,3-11H2,1-2H3,(H,17,21).
What are the key properties of N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 18163268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).