2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine

C11H17N3S — CID 102768884

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC3CCCCC32)s1
InChIInChI=1S/C11H17N3S/c12-10-7-13-11(15-10)14-6-5-8-3-1-2-4-9(8)14/h7-9H,1-6,12H2
InChIKeyYHKVYKWSWPQRON-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine (PubChem CID 102768884) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine
PubChem CID102768884
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC3CCCCC32)s1
InChIInChI=1S/C11H17N3S/c12-10-7-13-11(15-10)14-6-5-8-3-1-2-4-9(8)14/h7-9H,1-6,12H2
InChIKeyYHKVYKWSWPQRON-UHFFFAOYSA-N
XLogP2.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine (CID 102768884) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine is Nc1cnc(N2CCC3CCCCC32)s1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine?
The InChIKey is YHKVYKWSWPQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-10-7-13-11(15-10)14-6-5-8-3-1-2-4-9(8)14/h7-9H,1-6,12H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine has a molecular weight of 223.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 102768884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).