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

C9H14N2OS — CID 62543900

IUPAC2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(s1)COCC2
InChIInChI=1S/C9H14N2OS/c1-10-4-2-9-11-7-3-5-12-6-8(7)13-9/h10H,2-6H2,1H3
InChIKeyBIXALWRTWKCMRE-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.98
Rot. Bonds3

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

2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine (PubChem CID 62543900) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine
PubChem CID62543900
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(s1)COCC2
InChIInChI=1S/C9H14N2OS/c1-10-4-2-9-11-7-3-5-12-6-8(7)13-9/h10H,2-6H2,1H3
InChIKeyBIXALWRTWKCMRE-UHFFFAOYSA-N
XLogP0.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine (CID 62543900) is 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine is CNCCc1nc2c(s1)COCC2.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine?
The InChIKey is BIXALWRTWKCMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-10-4-2-9-11-7-3-5-12-6-8(7)13-9/h10H,2-6H2,1H3.
What are the key properties of 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine?
2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine has a molecular weight of 198.29 g/mol, XLogP of 0.98, 3 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)-N-methylethanamine is sourced from PubChem (CID 62543900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).