1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone

C14H22N2OS — CID 55257004

IUPAC1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
SMILESCCCc1nc(CN2CCCCC2C(C)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-3-6-14-15-12(10-18-14)9-16-8-5-4-7-13(16)11(2)17/h10,13H,3-9H2,1-2H3
InChIKeyCYLZESDXLZMIID-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.04
Rot. Bonds5

About 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone (PubChem CID 55257004) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
PubChem CID55257004
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
SMILESCCCc1nc(CN2CCCCC2C(C)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-3-6-14-15-12(10-18-14)9-16-8-5-4-7-13(16)11(2)17/h10,13H,3-9H2,1-2H3
InChIKeyCYLZESDXLZMIID-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone (CID 55257004) is 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone is CCCc1nc(CN2CCCCC2C(C)=O)cs1.
What is the InChIKey of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The InChIKey is CYLZESDXLZMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-6-14-15-12(10-18-14)9-16-8-5-4-7-13(16)11(2)17/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 55257004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).