1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

C15H18N2O2S — CID 56724806

IUPAC1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCCc1cccc2sc(N3CCCCC3C(=O)O)nc12
InChIInChI=1S/C15H18N2O2S/c1-2-10-6-5-8-12-13(10)16-15(20-12)17-9-4-3-7-11(17)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyKDQADZMGBANALH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (PubChem CID 56724806) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
PubChem CID56724806
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCCc1cccc2sc(N3CCCCC3C(=O)O)nc12
InChIInChI=1S/C15H18N2O2S/c1-2-10-6-5-8-12-13(10)16-15(20-12)17-9-4-3-7-11(17)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19)
InChIKeyKDQADZMGBANALH-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603541
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 172900683
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
1-(6-bromo-4-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724829
4-ethyl-2-[3-(fluoromethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 163348320
[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 43981812
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethyl-1,3-benzothiazole
CID 121081620
1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724809
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
CID 18721820
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16924135
2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902679
2-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,5-dimethyl-1,3-benzothiazole
CID 16941475

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (CID 56724806) is 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is CCc1cccc2sc(N3CCCCC3C(=O)O)nc12.
What is the InChIKey of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The InChIKey is KDQADZMGBANALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-10-6-5-8-12-13(10)16-15(20-12)17-9-4-3-7-11(17)14(18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,19).
What are the key properties of 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56724806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).