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

C15H24N2O2S — CID 82432991

IUPAC2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(CN2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C15H24N2O2S/c1-3-5-12-13(8-15(18)19)20-14(16-12)10-17-7-4-6-11(2)9-17/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyFBJMGIHYOMLBGJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.95
Rot. Bonds6

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

2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82432991) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82432991
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(CN2CCCC(C)C2)sc1CC(=O)O
InChIInChI=1S/C15H24N2O2S/c1-3-5-12-13(8-15(18)19)20-14(16-12)10-17-7-4-6-11(2)9-17/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyFBJMGIHYOMLBGJ-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.95
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)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid (CID 82432991) is 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid is CCCc1nc(CN2CCCC(C)C2)sc1CC(=O)O.
What is the InChIKey of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is FBJMGIHYOMLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-5-12-13(8-15(18)19)20-14(16-12)10-17-7-4-6-11(2)9-17/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 296.44 g/mol, XLogP of 2.95, 6 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)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82432991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).