1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride

C9H13ClN2O2S — CID 54593164

IUPAC1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2O2S.ClH/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);1H
InChIKeyFPECFIUVWKNYCX-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.87
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride

1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 54593164) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID54593164
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2O2S.ClH/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);1H
InChIKeyFPECFIUVWKNYCX-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid
CID 7131626
1-(1,3-Thiazol-2-yl)piperidine-3-carboxylic acid
CID 16783065
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047371
Ethyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658779
Methyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658785
(1-(Thiazol-2-yl)piperidin-4-yl)methanol
CID 60964790
1-(1,3-Thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663441
1-(1,3-Thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 63032380
1-[1-(1,3-Thiazol-2-yl)piperidin-4-yl]ethanone
CID 63845327
2-[1-(1,3-Thiazol-2-yl)azetidin-3-yl]acetic acid
CID 64618068
2-[1-(1,3-Thiazol-2-yl)pyrrolidin-3-yl]acetic acid
CID 65980053
1-(5-Bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 66981361

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride (CID 54593164) is 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is FPECFIUVWKNYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.ClH/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9;/h3,6-7H,1-2,4-5H2,(H,12,13);1H.
What are the key properties of 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride?
1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 54593164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).