4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 117214301

IUPAC4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CN1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-10(14)9-8(11-7-15-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14)
InChIKeyTYWHPAGUQHRKKT-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.83
Rot. Bonds3

About 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 117214301) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID117214301
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CN1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-10(14)9-8(11-7-15-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14)
InChIKeyTYWHPAGUQHRKKT-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 117214301) is 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1CN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TYWHPAGUQHRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-10(14)9-8(11-7-15-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14).
What are the key properties of 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117214301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).