1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid

C14H21N3O3S — CID 43441514

IUPAC1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCCN(C(C)=O)c1nc(CN2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-3-17(10(2)18)14-15-12(9-21-14)8-16-6-4-11(5-7-16)13(19)20/h9,11H,3-8H2,1-2H3,(H,19,20)
InChIKeyFGJQFJLCSNDJLZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.81
Rot. Bonds5

About 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid

1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 43441514) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID43441514
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCCN(C(C)=O)c1nc(CN2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-3-17(10(2)18)14-15-12(9-21-14)8-16-6-4-11(5-7-16)13(19)20/h9,11H,3-8H2,1-2H3,(H,19,20)
InChIKeyFGJQFJLCSNDJLZ-UHFFFAOYSA-N
XLogP1.81
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid (CID 43441514) is 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid is CCN(C(C)=O)c1nc(CN2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is FGJQFJLCSNDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-17(10(2)18)14-15-12(9-21-14)8-16-6-4-11(5-7-16)13(19)20/h9,11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).