6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine

C6H4ClN3S — CID 76850448

IUPAC6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnc(Cl)cc2s1
InChIInChI=1S/C6H4ClN3S/c7-5-1-4-3(2-9-5)10-6(8)11-4/h1-2H,(H2,8,10)
InChIKeyNCNORXZSXNZHQG-UHFFFAOYSA-N
MW185.64 g/mol
LogP1.93
Rot. Bonds

About 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine

6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 76850448) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID76850448
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnc(Cl)cc2s1
InChIInChI=1S/C6H4ClN3S/c7-5-1-4-3(2-9-5)10-6(8)11-4/h1-2H,(H2,8,10)
InChIKeyNCNORXZSXNZHQG-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 76850448) is 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine is Nc1nc2cnc(Cl)cc2s1.
What is the InChIKey of 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is NCNORXZSXNZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c7-5-1-4-3(2-9-5)10-6(8)11-4/h1-2H,(H2,8,10).
What are the key properties of 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine?
6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 185.64 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 76850448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).