N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine

C6H3Cl2N3S — CID 89124498

IUPACN,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESClN(Cl)c1nc2cccnc2s1
InChIInChI=1S/C6H3Cl2N3S/c7-11(8)6-10-4-2-1-3-9-5(4)12-6/h1-3H
InChIKeyDGAQIQAAZAFXRV-UHFFFAOYSA-N
MW220.08 g/mol
LogP2.81
Rot. Bonds1

About N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine

N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 89124498) has the molecular formula C6H3Cl2N3S and a molecular weight of 220.08 g/mol. Its IUPAC name is N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID89124498
Molecular FormulaC6H3Cl2N3S
Molecular Weight220.08 g/mol
Exact Mass218.94
IUPAC NameN,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESClN(Cl)c1nc2cccnc2s1
InChIInChI=1S/C6H3Cl2N3S/c7-11(8)6-10-4-2-1-3-9-5(4)12-6/h1-3H
InChIKeyDGAQIQAAZAFXRV-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 89124498) is N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine is ClN(Cl)c1nc2cccnc2s1.
What is the InChIKey of N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is DGAQIQAAZAFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3S/c7-11(8)6-10-4-2-1-3-9-5(4)12-6/h1-3H.
What are the key properties of N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 220.08 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 89124498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).