3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid

C14H20N2O3S — CID 62215610

IUPAC3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc(C)c(C(=O)N2CCCCC2CCC(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-9-13(20-10(2)15-9)14(19)16-8-4-3-5-11(16)6-7-12(17)18/h11H,3-8H2,1-2H3,(H,17,18)
InChIKeyABQWQOLWLFVBHZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.62
Rot. Bonds4

About 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62215610) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62215610
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc(C)c(C(=O)N2CCCCC2CCC(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-9-13(20-10(2)15-9)14(19)16-8-4-3-5-11(16)6-7-12(17)18/h11H,3-8H2,1-2H3,(H,17,18)
InChIKeyABQWQOLWLFVBHZ-UHFFFAOYSA-N
XLogP2.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid (CID 62215610) is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid is Cc1nc(C)c(C(=O)N2CCCCC2CCC(=O)O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is ABQWQOLWLFVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-13(20-10(2)15-9)14(19)16-8-4-3-5-11(16)6-7-12(17)18/h11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).