2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C12H15N3S — CID 83213515

IUPAC2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3nccs3)cc21
InChIInChI=1S/C12H15N3S/c13-11-3-1-2-9-6-15(7-10(9)11)8-12-14-4-5-16-12/h4-7,11H,1-3,8,13H2
InChIKeyUEWRTAVNNCPTAC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.33
Rot. Bonds2

About 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213515) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213515
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3nccs3)cc21
InChIInChI=1S/C12H15N3S/c13-11-3-1-2-9-6-15(7-10(9)11)8-12-14-4-5-16-12/h4-7,11H,1-3,8,13H2
InChIKeyUEWRTAVNNCPTAC-UHFFFAOYSA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213515) is 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(Cc3nccs3)cc21.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is UEWRTAVNNCPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-11-3-1-2-9-6-15(7-10(9)11)8-12-14-4-5-16-12/h4-7,11H,1-3,8,13H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 233.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).