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

C11H18N2OS — CID 62906432

IUPACN-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine
SMILESCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C11H18N2OS/c1-12-8-11(2-4-14-5-3-11)6-10-7-15-9-13-10/h7,9,12H,2-6,8H2,1H3
InChIKeyZFIWUEDIJZCHTJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.70
Rot. Bonds4

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

N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine (PubChem CID 62906432) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine
PubChem CID62906432
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine
SMILESCNCC1(Cc2cscn2)CCOCC1
InChIInChI=1S/C11H18N2OS/c1-12-8-11(2-4-14-5-3-11)6-10-7-15-9-13-10/h7,9,12H,2-6,8H2,1H3
InChIKeyZFIWUEDIJZCHTJ-UHFFFAOYSA-N
XLogP1.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine (CID 62906432) is N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine is CNCC1(Cc2cscn2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is ZFIWUEDIJZCHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-8-11(2-4-14-5-3-11)6-10-7-15-9-13-10/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine?
N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62906432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).