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

C12H20N2OS — CID 62905733

IUPACN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C12H20N2OS/c1-2-13-9-12(3-5-15-6-4-12)7-11-8-16-10-14-11/h8,10,13H,2-7,9H2,1H3
InChIKeyCQBJVFLLNZRLHD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds5

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

N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62905733) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
PubChem CID62905733
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C12H20N2OS/c1-2-13-9-12(3-5-15-6-4-12)7-11-8-16-10-14-11/h8,10,13H,2-7,9H2,1H3
InChIKeyCQBJVFLLNZRLHD-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine (CID 62905733) is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(Cc2cscn2)CCOCC1.
What is the InChIKey of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is CQBJVFLLNZRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-13-9-12(3-5-15-6-4-12)7-11-8-16-10-14-11/h8,10,13H,2-7,9H2,1H3.
What are the key properties of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62905733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).