3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine

C12H14N2OS — CID 115466700

IUPAC3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C12H14N2OS/c13-6-1-2-11-14-12-8-5-7-15-9(8)3-4-10(12)16-11/h5,7H,1-4,6,13H2
InChIKeyPFSJEEDZNKHGBE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.39
Rot. Bonds3

About 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine

3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine (PubChem CID 115466700) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
PubChem CID115466700
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C12H14N2OS/c13-6-1-2-11-14-12-8-5-7-15-9(8)3-4-10(12)16-11/h5,7H,1-4,6,13H2
InChIKeyPFSJEEDZNKHGBE-UHFFFAOYSA-N
XLogP2.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine (CID 115466700) is 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine is NCCCc1nc2c(s1)CCc1occc1-2.
What is the InChIKey of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine?
The InChIKey is PFSJEEDZNKHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-6-1-2-11-14-12-8-5-7-15-9(8)3-4-10(12)16-11/h5,7H,1-4,6,13H2.
What are the key properties of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine?
3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).