1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one

C14H25N3OS — CID 135460743

IUPAC1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1
InChIInChI=1S/C14H25N3OS/c1-3-15-14-16-11(2)13(19-14)12(18)7-10-17-8-5-4-6-9-17/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyQQSFZCAKFPFKPA-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.90
Rot. Bonds5

About 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one

1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 135460743) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID135460743
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1
InChIInChI=1S/C14H25N3OS/c1-3-15-14-16-11(2)13(19-14)12(18)7-10-17-8-5-4-6-9-17/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyQQSFZCAKFPFKPA-UHFFFAOYSA-N
XLogP1.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylimino-1,3-thiazolidin-4-yl)propan-2-one
CID 152608854
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 10060265
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 10400145
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
CID 135410181
3-(Diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135410249
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135429273
3-(Diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
CID 135503555
3-(Dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135504658
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 135508590
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135508593
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135511327
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone
CID 135523686

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one (CID 135460743) is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one is CC/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1.
What is the InChIKey of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is QQSFZCAKFPFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-15-14-16-11(2)13(19-14)12(18)7-10-17-8-5-4-6-9-17/h11,13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 283.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 135460743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).