2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine

C8H12N2OS — CID 43608928

IUPAC2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)COCC2
InChIInChI=1S/C8H12N2OS/c9-3-1-8-10-6-2-4-11-5-7(6)12-8/h1-5,9H2
InChIKeyRNHDUNRCXYJWED-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.72
Rot. Bonds2

About 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine

2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine (PubChem CID 43608928) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine
PubChem CID43608928
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine
SMILESNCCc1nc2c(s1)COCC2
InChIInChI=1S/C8H12N2OS/c9-3-1-8-10-6-2-4-11-5-7(6)12-8/h1-5,9H2
InChIKeyRNHDUNRCXYJWED-UHFFFAOYSA-N
XLogP0.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine (CID 43608928) is 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine is NCCc1nc2c(s1)COCC2.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is RNHDUNRCXYJWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-3-1-8-10-6-2-4-11-5-7(6)12-8/h1-5,9H2.
What are the key properties of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine?
2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 184.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 43608928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).