4-chloro-[1,3]thiazolo[4,5-d]pyridazine

C5H2ClN3S — CID 91591722

IUPAC4-chloro-[1,3]thiazolo[4,5-d]pyridazine
SMILESClc1nncc2scnc12
InChIInChI=1S/C5H2ClN3S/c6-5-4-3(1-8-9-5)10-2-7-4/h1-2H
InChIKeyRTDKHIAFHZKVKF-UHFFFAOYSA-N
MW171.61 g/mol
LogP1.74
Rot. Bonds

About 4-chloro-[1,3]thiazolo[4,5-d]pyridazine

4-chloro-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 91591722) has the molecular formula C5H2ClN3S and a molecular weight of 171.61 g/mol. Its IUPAC name is 4-chloro-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-chloro-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID91591722
Molecular FormulaC5H2ClN3S
Molecular Weight171.61 g/mol
Exact Mass170.97
IUPAC Name4-chloro-[1,3]thiazolo[4,5-d]pyridazine
SMILESClc1nncc2scnc12
InChIInChI=1S/C5H2ClN3S/c6-5-4-3(1-8-9-5)10-2-7-4/h1-2H
InChIKeyRTDKHIAFHZKVKF-UHFFFAOYSA-N
XLogP1.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.61
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 4-chloro-[1,3]thiazolo[4,5-d]pyridazine (CID 91591722) is 4-chloro-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-chloro-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 4-chloro-[1,3]thiazolo[4,5-d]pyridazine is Clc1nncc2scnc12.
What is the InChIKey of 4-chloro-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is RTDKHIAFHZKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3S/c6-5-4-3(1-8-9-5)10-2-7-4/h1-2H.
What are the key properties of 4-chloro-[1,3]thiazolo[4,5-d]pyridazine?
4-chloro-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 171.61 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 91591722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).