[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate

C15H24N2O3S — CID 90833081

IUPAC[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate
SMILESCc1nc(OC(=O)N2CCCCC2)sc1COC(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-11-12(10-19-15(2,3)4)21-13(16-11)20-14(18)17-8-6-5-7-9-17/h5-10H2,1-4H3
InChIKeyOATJYXBFVKGLSD-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.75
Rot. Bonds3

About [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate

[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate (PubChem CID 90833081) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate
PubChem CID90833081
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate
SMILESCc1nc(OC(=O)N2CCCCC2)sc1COC(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-11-12(10-19-15(2,3)4)21-13(16-11)20-14(18)17-8-6-5-7-9-17/h5-10H2,1-4H3
InChIKeyOATJYXBFVKGLSD-UHFFFAOYSA-N
XLogP3.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate?
The IUPAC name of [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate (CID 90833081) is [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate is Cc1nc(OC(=O)N2CCCCC2)sc1COC(C)(C)C.
What is the InChIKey of [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate?
The InChIKey is OATJYXBFVKGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-12(10-19-15(2,3)4)21-13(16-11)20-14(18)17-8-6-5-7-9-17/h5-10H2,1-4H3.
What are the key properties of [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate?
[4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 90833081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).