2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid

C12H18N2O2S — CID 82191362

IUPAC2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCCN1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-9-4-2-3-6-14(9)7-5-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyZQAKRYRZIVNQFP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82191362) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82191362
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCCN1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C12H18N2O2S/c1-9-4-2-3-6-14(9)7-5-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyZQAKRYRZIVNQFP-UHFFFAOYSA-N
XLogP2.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191374
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
2-(3,3-dimethylbutyl)-1,3-thiazole-5-carboxylic acid
CID 59238443
N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 115090879
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82191362) is 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid is CC1CCCCN1CCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZQAKRYRZIVNQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-4-2-3-6-14(9)7-5-11-13-8-10(17-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).