2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole

C11H17ClN2S — CID 63389754

IUPAC2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCC(CCl)CC2)n1
InChIInChI=1S/C11H17ClN2S/c1-2-10-8-15-11(13-10)14-5-3-9(7-12)4-6-14/h8-9H,2-7H2,1H3
InChIKeyRKDSCXNPMTYQTC-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.16
Rot. Bonds3

About 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole

2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole (PubChem CID 63389754) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
PubChem CID63389754
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCC(CCl)CC2)n1
InChIInChI=1S/C11H17ClN2S/c1-2-10-8-15-11(13-10)14-5-3-9(7-12)4-6-14/h8-9H,2-7H2,1H3
InChIKeyRKDSCXNPMTYQTC-UHFFFAOYSA-N
XLogP3.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole?
The IUPAC name of 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole (CID 63389754) is 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole is CCc1csc(N2CCC(CCl)CC2)n1.
What is the InChIKey of 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole?
The InChIKey is RKDSCXNPMTYQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-2-10-8-15-11(13-10)14-5-3-9(7-12)4-6-14/h8-9H,2-7H2,1H3.
What are the key properties of 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole?
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole is sourced from PubChem (CID 63389754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).