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

C14H23N3O2S — CID 39159857

IUPAC2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCN1CCC(N(C)CCc2nc(CC(=O)O)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16-6-3-12(4-7-16)17(2)8-5-13-15-11(10-20-13)9-14(18)19/h10,12H,3-9H2,1-2H3,(H,18,19)
InChIKeyPFHNVPWSWPBVAE-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.34
Rot. Bonds6

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

2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 39159857) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID39159857
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCN1CCC(N(C)CCc2nc(CC(=O)O)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-16-6-3-12(4-7-16)17(2)8-5-13-15-11(10-20-13)9-14(18)19/h10,12H,3-9H2,1-2H3,(H,18,19)
InChIKeyPFHNVPWSWPBVAE-UHFFFAOYSA-N
XLogP1.34
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid (CID 39159857) is 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid is CN1CCC(N(C)CCc2nc(CC(=O)O)cs2)CC1.
What is the InChIKey of 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PFHNVPWSWPBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-6-3-12(4-7-16)17(2)8-5-13-15-11(10-20-13)9-14(18)19/h10,12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 297.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 39159857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).