[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C16H17ClN2O2S — CID 24712425

IUPAC[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(COc2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H17ClN2O2S/c17-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(20)19-7-2-1-3-8-19/h4-6,9,11H,1-3,7-8,10H2
InChIKeyGDMKLOOMKNYHPS-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.00
Rot. Bonds4

About [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 24712425) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID24712425
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(COc2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H17ClN2O2S/c17-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(20)19-7-2-1-3-8-19/h4-6,9,11H,1-3,7-8,10H2
InChIKeyGDMKLOOMKNYHPS-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 24712425) is [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is O=C(c1csc(COc2cccc(Cl)c2)n1)N1CCCCC1.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GDMKLOOMKNYHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-12-5-4-6-13(9-12)21-10-15-18-14(11-22-15)16(20)19-7-2-1-3-8-19/h4-6,9,11H,1-3,7-8,10H2.
What are the key properties of [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 336.84 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24712425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).