2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate

C10H16N2O2S — CID 142778482

IUPAC2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCN1C=CSC1)N1CCCCC1
InChIInChI=1S/C10H16N2O2S/c13-10(12-4-2-1-3-5-12)14-8-11-6-7-15-9-11/h6-7H,1-5,8-9H2
InChIKeyJQBPSUZVTPFWDS-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.04
Rot. Bonds2

About 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate

2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate (PubChem CID 142778482) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate
PubChem CID142778482
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCN1C=CSC1)N1CCCCC1
InChIInChI=1S/C10H16N2O2S/c13-10(12-4-2-1-3-5-12)14-8-11-6-7-15-9-11/h6-7H,1-5,8-9H2
InChIKeyJQBPSUZVTPFWDS-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115749765

Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate?
The IUPAC name of 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate (CID 142778482) is 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate.
What is the SMILES notation for 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate?
The canonical SMILES for 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate is O=C(OCN1C=CSC1)N1CCCCC1.
What is the InChIKey of 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate?
The InChIKey is JQBPSUZVTPFWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-10(12-4-2-1-3-5-12)14-8-11-6-7-15-9-11/h6-7H,1-5,8-9H2.
What are the key properties of 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate?
2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazol-3-ylmethyl piperidine-1-carboxylate is sourced from PubChem (CID 142778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).