N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide

C15H27N3O2S — CID 147420507

IUPACN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide
SMILESCCCC(=O)N1CCCC(C2NC(CNC(C)=O)CS2)C1
InChIInChI=1S/C15H27N3O2S/c1-3-5-14(20)18-7-4-6-12(9-18)15-17-13(10-21-15)8-16-11(2)19/h12-13,15,17H,3-10H2,1-2H3,(H,16,19)
InChIKeyDSJRXOFQNXRXJU-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.19
Rot. Bonds5

About N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide

N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide (PubChem CID 147420507) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide
PubChem CID147420507
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide
SMILESCCCC(=O)N1CCCC(C2NC(CNC(C)=O)CS2)C1
InChIInChI=1S/C15H27N3O2S/c1-3-5-14(20)18-7-4-6-12(9-18)15-17-13(10-21-15)8-16-11(2)19/h12-13,15,17H,3-10H2,1-2H3,(H,16,19)
InChIKeyDSJRXOFQNXRXJU-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ngx-267
CID 10013505
(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 28787393
H-D-Thz-Leu-Gly-NH2
CID 90675113
cyclo(L-leucyl-L-methionyl)
CID 14482358
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
H-Thz-Leu-Gly-NH2
CID 73356022
2-Methyl-1-[3-(thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 118740659
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919142
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 45796543
2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
CID 75374709

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide (CID 147420507) is N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide is CCCC(=O)N1CCCC(C2NC(CNC(C)=O)CS2)C1.
What is the InChIKey of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The InChIKey is DSJRXOFQNXRXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-5-14(20)18-7-4-6-12(9-18)15-17-13(10-21-15)8-16-11(2)19/h12-13,15,17H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide?
N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-butanoylpiperidin-3-yl)-1,3-thiazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 147420507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).