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

C15H24N2O2S — CID 82227551

IUPAC4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(CCN2CCCCC2)sc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-2-3-7-12-14(15(18)19)20-13(16-12)8-11-17-9-5-4-6-10-17/h2-11H2,1H3,(H,18,19)
InChIKeyZQLADZOZIZRSID-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.21
Rot. Bonds7

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

4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82227551) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82227551
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(CCN2CCCCC2)sc1C(=O)O
InChIInChI=1S/C15H24N2O2S/c1-2-3-7-12-14(15(18)19)20-13(16-12)8-11-17-9-5-4-6-10-17/h2-11H2,1H3,(H,18,19)
InChIKeyZQLADZOZIZRSID-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-ylmethyl)-4-butyl-1,3-thiazole-5-carboxylic acid
CID 82227287
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430835
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
(E)-3-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82433138
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
CID 82439543
4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227656
2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82227270

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (CID 82227551) is 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is CCCCc1nc(CCN2CCCCC2)sc1C(=O)O.
What is the InChIKey of 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZQLADZOZIZRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-7-12-14(15(18)19)20-13(16-12)8-11-17-9-5-4-6-10-17/h2-11H2,1H3,(H,18,19).
What are the key properties of 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).