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

C15H24N2O2S — CID 82433351

IUPAC3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
SMILESCCCc1nc(N2CCCC(C)C2)sc1CCC(=O)O
InChIInChI=1S/C15H24N2O2S/c1-3-5-12-13(7-8-14(18)19)20-15(16-12)17-9-4-6-11(2)10-17/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyDDFIMTQZEIDBLS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.35
Rot. Bonds6

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

3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82433351) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82433351
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
SMILESCCCc1nc(N2CCCC(C)C2)sc1CCC(=O)O
InChIInChI=1S/C15H24N2O2S/c1-3-5-12-13(7-8-14(18)19)20-15(16-12)17-9-4-6-11(2)10-17/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyDDFIMTQZEIDBLS-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82433345
2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82430991
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid (CID 82433351) is 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid is CCCc1nc(N2CCCC(C)C2)sc1CCC(=O)O.
What is the InChIKey of 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is DDFIMTQZEIDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-5-12-13(7-8-14(18)19)20-15(16-12)17-9-4-6-11(2)10-17/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid?
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 296.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82433351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).