5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine

C7H6ClN3OS — CID 142582350

IUPAC5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1cc(Cl)nc2sc(N)nc12
InChIInChI=1S/C7H6ClN3OS/c1-12-3-2-4(8)10-6-5(3)11-7(9)13-6/h2H,1H3,(H2,9,11)
InChIKeyQMZIGNRKLVVQIB-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.94
Rot. Bonds1

About 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 142582350) has the molecular formula C7H6ClN3OS and a molecular weight of 215.67 g/mol. Its IUPAC name is 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID142582350
Molecular FormulaC7H6ClN3OS
Molecular Weight215.67 g/mol
Exact Mass214.99
IUPAC Name5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1cc(Cl)nc2sc(N)nc12
InChIInChI=1S/C7H6ClN3OS/c1-12-3-2-4(8)10-6-5(3)11-7(9)13-6/h2H,1H3,(H2,9,11)
InChIKeyQMZIGNRKLVVQIB-UHFFFAOYSA-N
XLogP1.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 142582350) is 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine is COc1cc(Cl)nc2sc(N)nc12.
What is the InChIKey of 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is QMZIGNRKLVVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c1-12-3-2-4(8)10-6-5(3)11-7(9)13-6/h2H,1H3,(H2,9,11).
What are the key properties of 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 215.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 142582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).