N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine

C11H16ClN3S — CID 83152062

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
SMILESClc1csc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C11H16ClN3S/c12-10-7-16-11(14-10)13-8-4-6-15-5-2-1-3-9(8)15/h7-9H,1-6H2,(H,13,14)
InChIKeyZYFUEXKJGYDCHR-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.84
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine (PubChem CID 83152062) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
PubChem CID83152062
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
SMILESClc1csc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C11H16ClN3S/c12-10-7-16-11(14-10)13-8-4-6-15-5-2-1-3-9(8)15/h7-9H,1-6H2,(H,13,14)
InChIKeyZYFUEXKJGYDCHR-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine (CID 83152062) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine is Clc1csc(NC2CCN3CCCCC23)n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine?
The InChIKey is ZYFUEXKJGYDCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c12-10-7-16-11(14-10)13-8-4-6-15-5-2-1-3-9(8)15/h7-9H,1-6H2,(H,13,14).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine has a molecular weight of 257.79 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 83152062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).