2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone

C11H15ClN2OS — CID 16767872

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCCCC1
InChIInChI=1S/C11H15ClN2OS/c12-7-9-8-16-10(13-9)6-11(15)14-4-2-1-3-5-14/h8H,1-7H2
InChIKeyLVCYHZDPYAVOPV-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.44
Rot. Bonds3

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 16767872) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID16767872
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1nc(CCl)cs1)N1CCCCC1
InChIInChI=1S/C11H15ClN2OS/c12-7-9-8-16-10(13-9)6-11(15)14-4-2-1-3-5-14/h8H,1-7H2
InChIKeyLVCYHZDPYAVOPV-UHFFFAOYSA-N
XLogP2.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 60890841
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CID 61607327
CID 61607327
CID 61607396
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CID 61607397
CID 61607397
CID 61607398
CID 61607398
CID 62969696
CID 62969696
CID 65531767
CID 65531767
CID 65532158
CID 65532158
CID 65532542
CID 65532542
CID 115521513
CID 115521513
CID 115521514
CID 115521514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone (CID 16767872) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone is O=C(Cc1nc(CCl)cs1)N1CCCCC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is LVCYHZDPYAVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-7-9-8-16-10(13-9)6-11(15)14-4-2-1-3-5-14/h8H,1-7H2.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 258.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 16767872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).