4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid

C12H16N2O3S — CID 63125222

IUPAC4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C12H16N2O3S/c1-2-12(11(16)17)3-5-14(6-4-12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyFEOLMJIGJKSZRL-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.86
Rot. Bonds3

About 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63125222) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID63125222
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C12H16N2O3S/c1-2-12(11(16)17)3-5-14(6-4-12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyFEOLMJIGJKSZRL-UHFFFAOYSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 66389168
2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95811403
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 107498462
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 97440539
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid (CID 63125222) is 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FEOLMJIGJKSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-12(11(16)17)3-5-14(6-4-12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).