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

C13H21ClN2OS — CID 63973702

IUPAC4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
SMILESCOCC1CCN(CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C13H21ClN2OS/c1-17-9-11-2-5-16(6-3-11)7-4-13-15-12(8-14)10-18-13/h10-11H,2-9H2,1H3
InChIKeyRGHPWJNDIQVPED-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.78
Rot. Bonds6

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

4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole (PubChem CID 63973702) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
PubChem CID63973702
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
SMILESCOCC1CCN(CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C13H21ClN2OS/c1-17-9-11-2-5-16(6-3-11)7-4-13-15-12(8-14)10-18-13/h10-11H,2-9H2,1H3
InChIKeyRGHPWJNDIQVPED-UHFFFAOYSA-N
XLogP2.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63978263
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484861
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
4-(chloromethyl)-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,3-thiazole
CID 62206798
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-2,2-dimethylmorpholine
CID 43593130
4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole
CID 43266689
4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 62123594

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole (CID 63973702) is 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole is COCC1CCN(CCc2nc(CCl)cs2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is RGHPWJNDIQVPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-17-9-11-2-5-16(6-3-11)7-4-13-15-12(8-14)10-18-13/h10-11H,2-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 288.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 63973702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).