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

C10H15ClN2S — CID 43532074

IUPAC4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCCN(c2nc(CCl)cs2)C1
InChIInChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)10-12-9(5-11)7-14-10/h7-8H,2-6H2,1H3
InChIKeyGXJDXCFFNSRDAV-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.12
Rot. Bonds2

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

4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 43532074) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID43532074
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCCN(c2nc(CCl)cs2)C1
InChIInChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)10-12-9(5-11)7-14-10/h7-8H,2-6H2,1H3
InChIKeyGXJDXCFFNSRDAV-UHFFFAOYSA-N
XLogP3.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.12
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-(3-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole (CID 43532074) is 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole is CC1CCCN(c2nc(CCl)cs2)C1.
What is the InChIKey of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is GXJDXCFFNSRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)10-12-9(5-11)7-14-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 43532074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).