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

C8H12N2OS — CID 62543187

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(s1)COCC2
InChIInChI=1S/C8H12N2OS/c1-9-4-8-10-6-2-3-11-5-7(6)12-8/h9H,2-5H2,1H3
InChIKeyQRUDCUIGPVJTNL-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.94
Rot. Bonds2

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

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine (PubChem CID 62543187) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine
PubChem CID62543187
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(s1)COCC2
InChIInChI=1S/C8H12N2OS/c1-9-4-8-10-6-2-3-11-5-7(6)12-8/h9H,2-5H2,1H3
InChIKeyQRUDCUIGPVJTNL-UHFFFAOYSA-N
XLogP0.94
TPSA34.15 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine (CID 62543187) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine is CNCc1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine?
The InChIKey is QRUDCUIGPVJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-9-4-8-10-6-2-3-11-5-7(6)12-8/h9H,2-5H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine has a molecular weight of 184.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62543187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).