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

C12H13Cl2N3S — CID 134835182

IUPAC7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESClC(Cl)c1ccnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-15-11-9(8)18-12(16-11)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2
InChIKeyMQEXCWRGPOZWNR-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.16
Rot. Bonds2

About 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine

7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 134835182) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID134835182
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
SMILESClC(Cl)c1ccnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-15-11-9(8)18-12(16-11)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2
InChIKeyMQEXCWRGPOZWNR-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'}

Analyze 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,3]Thiazolo[4,5-b]pyridine
CID 20059202
3-{4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine
CID 2427243
2-Chloro-(1,3)thiazolo(4,5-b)pyridine
CID 51358428
7-Chloro-2-methyl-(1,3)thiazolo(4,5-b)pyridine
CID 83828816
2-Pyrrolidin-1-yl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
CID 134974875
5-(Dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 102417559
2-t-Butylthiazolo[4,5-b]pyridine
CID 11116883
2-(p-Tolyl)thiazolo[4,5-b]pyridine
CID 12966593
2-(1-Methylethyl)-1,3-thiazolo[4,5-b]pyridine
CID 20641362
2-Piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 134967535
2-Cyclohexyl-1,3-thiazolo[4,5-b]pyridine
CID 139087737
2-Chloro-6-(fluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
CID 117785528

Frequently Asked Questions

What is the IUPAC name of 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine (CID 134835182) is 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine is ClC(Cl)c1ccnc2nc(N3CCCCC3)sc12.
What is the InChIKey of 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is MQEXCWRGPOZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c13-10(14)8-4-5-15-11-9(8)18-12(16-11)17-6-2-1-3-7-17/h4-5,10H,1-3,6-7H2.
What are the key properties of 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine?
7-(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 7-(dichloromethyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 134835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).