N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine

C11H18N2OS — CID 60982154

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
SMILESCCc1ncc(CNC2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-9-3-5-14-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyYPPVXYGEXWYAAC-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine (PubChem CID 60982154) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
PubChem CID60982154
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
SMILESCCc1ncc(CNC2CCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-9-3-5-14-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyYPPVXYGEXWYAAC-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine (CID 60982154) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine is CCc1ncc(CNC2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine?
The InChIKey is YPPVXYGEXWYAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-11-13-8-10(15-11)7-12-9-3-5-14-6-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine is sourced from PubChem (CID 60982154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).