2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid

C17H21N3O3S — CID 154868876

IUPAC2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cncc(CN2CCCC(c3nc(C(=O)O)cs3)C2)c1C
InChIInChI=1S/C17H21N3O3S/c1-11-13(6-18-7-15(11)23-2)9-20-5-3-4-12(8-20)16-19-14(10-24-16)17(21)22/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyQSKSQHYTEGUWOT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid

2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 154868876) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID154868876
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cncc(CN2CCCC(c3nc(C(=O)O)cs3)C2)c1C
InChIInChI=1S/C17H21N3O3S/c1-11-13(6-18-7-15(11)23-2)9-20-5-3-4-12(8-20)16-19-14(10-24-16)17(21)22/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyQSKSQHYTEGUWOT-UHFFFAOYSA-N
XLogP2.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[1-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 166267754
2-[1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 146144711
3-fluoro-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 164642848
3-[[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028920
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 142706070
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 146103415

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid (CID 154868876) is 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid is COc1cncc(CN2CCCC(c3nc(C(=O)O)cs3)C2)c1C.
What is the InChIKey of 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QSKSQHYTEGUWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-13(6-18-7-15(11)23-2)9-20-5-3-4-12(8-20)16-19-14(10-24-16)17(21)22/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 347.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methoxy-4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 154868876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).