2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid

C13H20N2O3S — CID 82069166

IUPAC2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c(CN2CCCCC2)s1
InChIInChI=1S/C13H20N2O3S/c1-18-8-5-11-14-12(13(16)17)10(19-11)9-15-6-3-2-4-7-15/h2-9H2,1H3,(H,16,17)
InChIKeyTXVMZQHZUJJWNF-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.02
Rot. Bonds6

About 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid

2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82069166) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID82069166
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c(CN2CCCCC2)s1
InChIInChI=1S/C13H20N2O3S/c1-18-8-5-11-14-12(13(16)17)10(19-11)9-15-6-3-2-4-7-15/h2-9H2,1H3,(H,16,17)
InChIKeyTXVMZQHZUJJWNF-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069104
5-(piperazin-1-ylmethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069176
5-[[butyl(methyl)amino]methyl]-2-(2-methoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 82069158
5-(azepan-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214540
5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid
CID 103199986
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069049
N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386447
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 82069071

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid (CID 82069166) is 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid is COCCc1nc(C(=O)O)c(CN2CCCCC2)s1.
What is the InChIKey of 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is TXVMZQHZUJJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-8-5-11-14-12(13(16)17)10(19-11)9-15-6-3-2-4-7-15/h2-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid?
2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82069166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).