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

C10H14N2O2S — CID 115089037

IUPAC2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C10H14N2O2S/c13-10(14)8-6-15-9(12-8)4-7-2-1-3-11-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyBIZVDNZQFREHHY-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.38
Rot. Bonds3

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

2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 115089037) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID115089037
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C10H14N2O2S/c13-10(14)8-6-15-9(12-8)4-7-2-1-3-11-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyBIZVDNZQFREHHY-UHFFFAOYSA-N
XLogP1.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166278224
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid (CID 115089037) is 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CC2CCCNC2)n1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BIZVDNZQFREHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-10(14)8-6-15-9(12-8)4-7-2-1-3-11-5-7/h6-7,11H,1-5H2,(H,13,14).
What are the key properties of 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid?
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115089037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).