2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid

C14H22N2O2S — CID 82433345

IUPAC2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(N2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C14H22N2O2S/c1-3-5-11-12(8-13(17)18)19-14(15-11)16-7-4-6-10(2)9-16/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGBHPZGMXKRONL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid

2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82433345) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82433345
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(N2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C14H22N2O2S/c1-3-5-11-12(8-13(17)18)19-14(15-11)16-7-4-6-10(2)9-16/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyOGBHPZGMXKRONL-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid (CID 82433345) is 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid is CCCc1nc(N2CCCC(C)C2)sc1CC(=O)O.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OGBHPZGMXKRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-5-11-12(8-13(17)18)19-14(15-11)16-7-4-6-10(2)9-16/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 282.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82433345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).