1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid

C11H15BrN2O2S — CID 66981361

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-2-11(9(15)16)3-5-14(6-4-11)10-13-7-8(12)17-10/h7H,2-6H2,1H3,(H,15,16)
InChIKeyMWDMKLNHPNLZFH-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.99
Rot. Bonds3

About 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid

1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 66981361) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID66981361
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-2-11(9(15)16)3-5-14(6-4-11)10-13-7-8(12)17-10/h7H,2-6H2,1H3,(H,15,16)
InChIKeyMWDMKLNHPNLZFH-UHFFFAOYSA-N
XLogP2.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65270367
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534
1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149020
4-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304330
1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 140872513
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
1-[5-(4-amino-3-bromo-5-nitrophenyl)pyrimidin-2-yl]-4-ethylpiperidine-4-carboxylic acid
CID 66981278
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid
CID 66278705
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid (CID 66981361) is 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ncc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is MWDMKLNHPNLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-2-11(9(15)16)3-5-14(6-4-11)10-13-7-8(12)17-10/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid?
1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 319.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 66981361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).