N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine

C12H15N3S — CID 65336897

IUPACN-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine
SMILESc1cnc2sc(CNC3CCCC3)nc2c1
InChIInChI=1S/C12H15N3S/c1-2-5-9(4-1)14-8-11-15-10-6-3-7-13-12(10)16-11/h3,6-7,9,14H,1-2,4-5,8H2
InChIKeyDXADSKSFQHIMNC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.72
Rot. Bonds3

About N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine

N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine (PubChem CID 65336897) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine
PubChem CID65336897
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine
SMILESc1cnc2sc(CNC3CCCC3)nc2c1
InChIInChI=1S/C12H15N3S/c1-2-5-9(4-1)14-8-11-15-10-6-3-7-13-12(10)16-11/h3,6-7,9,14H,1-2,4-5,8H2
InChIKeyDXADSKSFQHIMNC-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine (CID 65336897) is N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine is c1cnc2sc(CNC3CCCC3)nc2c1.
What is the InChIKey of N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine?
The InChIKey is DXADSKSFQHIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-5-9(4-1)14-8-11-15-10-6-3-7-13-12(10)16-11/h3,6-7,9,14H,1-2,4-5,8H2.
What are the key properties of N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine?
N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine has a molecular weight of 233.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 65336897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).