2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole

C12H19ClN2OS — CID 71646490

IUPAC2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCCCC2CCNCC2)s1
InChIInChI=1S/C12H19ClN2OS/c13-12-15-8-11(17-12)9-16-7-1-2-10-3-5-14-6-4-10/h8,10,14H,1-7,9H2
InChIKeyOZBLBIRBGCPUNB-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole

2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole (PubChem CID 71646490) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole
PubChem CID71646490
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCCCC2CCNCC2)s1
InChIInChI=1S/C12H19ClN2OS/c13-12-15-8-11(17-12)9-16-7-1-2-10-3-5-14-6-4-10/h8,10,14H,1-7,9H2
InChIKeyOZBLBIRBGCPUNB-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole (CID 71646490) is 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole is Clc1ncc(COCCCC2CCNCC2)s1.
What is the InChIKey of 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole?
The InChIKey is OZBLBIRBGCPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c13-12-15-8-11(17-12)9-16-7-1-2-10-3-5-14-6-4-10/h8,10,14H,1-7,9H2.
What are the key properties of 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole?
2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole has a molecular weight of 274.82 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-piperidin-4-ylpropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 71646490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).