2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid

C10H15N3O2S — CID 80572046

IUPAC2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCC(Nc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)12-10-11-6-8(16-10)9(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyNYKWSESLQMOWAI-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.35
Rot. Bonds3

About 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80572046) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80572046
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN1CCC(Nc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)12-10-11-6-8(16-10)9(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyNYKWSESLQMOWAI-UHFFFAOYSA-N
XLogP1.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 80572046) is 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid is CN1CCC(Nc2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NYKWSESLQMOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)12-10-11-6-8(16-10)9(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).