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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Related Compounds

2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553166
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933

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).