2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid

C12H18N2O2S — CID 55145023

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid
SMILESCc1ncc(CN2CCCC(CC(=O)O)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)8-14-4-2-3-10(7-14)5-12(15)16/h6,10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyBXMLKGZNVWMBAL-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid

2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid (PubChem CID 55145023) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid
PubChem CID55145023
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid
SMILESCc1ncc(CN2CCCC(CC(=O)O)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)8-14-4-2-3-10(7-14)5-12(15)16/h6,10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyBXMLKGZNVWMBAL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid (CID 55145023) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid is Cc1ncc(CN2CCCC(CC(=O)O)C2)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is BXMLKGZNVWMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)8-14-4-2-3-10(7-14)5-12(15)16/h6,10H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 55145023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).