5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine

C6H5ClN2S — CID 123536193

IUPAC5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1ccc2c(n1)SCN2
InChIInChI=1S/C6H5ClN2S/c7-5-2-1-4-6(9-5)10-3-8-4/h1-2,8H,3H2
InChIKeySUWYCEYVVHFOPT-UHFFFAOYSA-N
MW172.64 g/mol
LogP2.21
Rot. Bonds

About 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine

5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 123536193) has the molecular formula C6H5ClN2S and a molecular weight of 172.64 g/mol. Its IUPAC name is 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID123536193
Molecular FormulaC6H5ClN2S
Molecular Weight172.64 g/mol
Exact Mass171.99
IUPAC Name5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1ccc2c(n1)SCN2
InChIInChI=1S/C6H5ClN2S/c7-5-2-1-4-6(9-5)10-3-8-4/h1-2,8H,3H2
InChIKeySUWYCEYVVHFOPT-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine (CID 123536193) is 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine is Clc1ccc2c(n1)SCN2.
What is the InChIKey of 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is SUWYCEYVVHFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2S/c7-5-2-1-4-6(9-5)10-3-8-4/h1-2,8H,3H2.
What are the key properties of 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine?
5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 172.64 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 123536193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).