5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine

C12H13Cl2N3S — CID 102417559

IUPAC5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESClC(Cl)c1ccc2sc(N3CCCCC3)nc2n1
InChIInChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-9-11(15-8)16-12(18-9)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2
InChIKeyMWQDLRTYUVLUEJ-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.16
Rot. Bonds2

About 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine

5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 102417559) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID102417559
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESClC(Cl)c1ccc2sc(N3CCCCC3)nc2n1
InChIInChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-9-11(15-8)16-12(18-9)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2
InChIKeyMWQDLRTYUVLUEJ-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine (CID 102417559) is 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine is ClC(Cl)c1ccc2sc(N3CCCCC3)nc2n1.
What is the InChIKey of 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is MWQDLRTYUVLUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-9-11(15-8)16-12(18-9)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2.
What are the key properties of 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 302.23 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 102417559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).