4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole

C11H17ClN2S — CID 43138293

IUPAC4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2S/c1-9-4-2-3-5-14(9)7-11-13-10(6-12)8-15-11/h8-9H,2-7H2,1H3
InChIKeyRULKOASEJCEYEH-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.26
Rot. Bonds3

About 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole

4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 43138293) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID43138293
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C11H17ClN2S/c1-9-4-2-3-5-14(9)7-11-13-10(6-12)8-15-11/h8-9H,2-7H2,1H3
InChIKeyRULKOASEJCEYEH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 43138293) is 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCCCN1Cc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is RULKOASEJCEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-9-4-2-3-5-14(9)7-11-13-10(6-12)8-15-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 43138293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).