4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C13H19N3O3S — CID 63126930

IUPAC4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-13(11(17)18)3-6-16(7-4-13)12(19)15-9-10-14-5-8-20-10/h5,8H,2-4,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyASXAZIKENRNVAK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.93
Rot. Bonds4

About 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63126930) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63126930
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-13(11(17)18)3-6-16(7-4-13)12(19)15-9-10-14-5-8-20-10/h5,8H,2-4,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyASXAZIKENRNVAK-UHFFFAOYSA-N
XLogP1.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126929
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106382767
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
4-(2-methylpropanoyl)-N-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 146075678
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
CID 146131397
4-(4-methylbenzoyl)-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994396
4-ethyl-1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 104763628
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 63126930) is 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCc2nccs2)CC1.
What is the InChIKey of 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is ASXAZIKENRNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-13(11(17)18)3-6-16(7-4-13)12(19)15-9-10-14-5-8-20-10/h5,8H,2-4,6-7,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).