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

C7H7N3S — CID 90245653

IUPACN-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine
SMILESCNc1snc2ncccc12
InChIInChI=1S/C7H7N3S/c1-8-7-5-3-2-4-9-6(5)10-11-7/h2-4,8H,1H3
InChIKeyBOJIPIKJIRBDNJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.73
Rot. Bonds1

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

N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine (PubChem CID 90245653) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine
PubChem CID90245653
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC NameN-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine
SMILESCNc1snc2ncccc12
InChIInChI=1S/C7H7N3S/c1-8-7-5-3-2-4-9-6(5)10-11-7/h2-4,8H,1H3
InChIKeyBOJIPIKJIRBDNJ-UHFFFAOYSA-N
XLogP1.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine (CID 90245653) is N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine is CNc1snc2ncccc12.
What is the InChIKey of N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine?
The InChIKey is BOJIPIKJIRBDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-8-7-5-3-2-4-9-6(5)10-11-7/h2-4,8H,1H3.
What are the key properties of N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine?
N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine has a molecular weight of 165.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-[1,2]thiazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 90245653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).