4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole

C16H27ClN2S — CID 63159007

IUPAC4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
SMILESCCC1(CC)CCN(CCCc2nc(CCl)cs2)CC1
InChIInChI=1S/C16H27ClN2S/c1-3-16(4-2)7-10-19(11-8-16)9-5-6-15-18-14(12-17)13-20-15/h13H,3-12H2,1-2H3
InChIKeyXWHHEDCCKVVILW-UHFFFAOYSA-N
MW314.93 g/mol
LogP4.72
Rot. Bonds7

About 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole

4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole (PubChem CID 63159007) has the molecular formula C16H27ClN2S and a molecular weight of 314.93 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
PubChem CID63159007
Molecular FormulaC16H27ClN2S
Molecular Weight314.93 g/mol
Exact Mass314.16
IUPAC Name4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
SMILESCCC1(CC)CCN(CCCc2nc(CCl)cs2)CC1
InChIInChI=1S/C16H27ClN2S/c1-3-16(4-2)7-10-19(11-8-16)9-5-6-15-18-14(12-17)13-20-15/h13H,3-12H2,1-2H3
InChIKeyXWHHEDCCKVVILW-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 54.72
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

4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-7,7-dimethyl-1,4-thiazepane
CID 107457594
2-[4-(4-butan-2-ylpiperazin-1-yl)butyl]-4-(chloromethyl)-1,3-thiazole
CID 62774435
1-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106320949
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 113336000
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
(2S,6R)-4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-2,6-dimethylmorpholine
CID 104959751
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 79943191
4-(chloromethyl)-2-[3-(2,3-dimethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 62123594
1-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475586

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole (CID 63159007) is 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole is CCC1(CC)CCN(CCCc2nc(CCl)cs2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole?
The InChIKey is XWHHEDCCKVVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2S/c1-3-16(4-2)7-10-19(11-8-16)9-5-6-15-18-14(12-17)13-20-15/h13H,3-12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole has a molecular weight of 314.93 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 63159007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).