N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

C11H18N2OS — CID 62717709

IUPACN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C11H18N2OS/c1-2-12-7-11(3-4-14-8-11)5-10-6-15-9-13-10/h6,9,12H,2-5,7-8H2,1H3
InChIKeyVJWRZDHHDOSQGY-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.70
Rot. Bonds5

About N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 62717709) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID62717709
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C11H18N2OS/c1-2-12-7-11(3-4-14-8-11)5-10-6-15-9-13-10/h6,9,12H,2-5,7-8H2,1H3
InChIKeyVJWRZDHHDOSQGY-UHFFFAOYSA-N
XLogP1.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 62717709) is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2cscn2)CCOC1.
What is the InChIKey of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is VJWRZDHHDOSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-12-7-11(3-4-14-8-11)5-10-6-15-9-13-10/h6,9,12H,2-5,7-8H2,1H3.
What are the key properties of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 226.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62717709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).