2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride

C11H17ClN2O2S — CID 18969291

IUPAC2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S.ClH/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8;/h7-8,12H,1-6H2,(H,14,15);1H
InChIKeyGGACNTQRMXBDDO-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride

2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 18969291) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID18969291
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16N2O2S.ClH/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8;/h7-8,12H,1-6H2,(H,14,15);1H
InChIKeyGGACNTQRMXBDDO-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylbutyl)-1,3-thiazole-5-carboxylic acid
CID 59238443
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191374
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 115090145
2-[4-[2-(2-piperidin-4-ylethyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 22077384
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 136571997
2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 115090879
4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 43333565
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 18969291) is 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc(CCC2CCNCC2)s1.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is GGACNTQRMXBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c14-11(15)9-7-13-10(16-9)2-1-8-3-5-12-6-4-8;/h7-8,12H,1-6H2,(H,14,15);1H.
What are the key properties of 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 18969291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).