N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine

C10H16N2OS — CID 61330788

IUPACN-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine
SMILESCCNC1(c2nccs2)CCOCC1
InChIInChI=1S/C10H16N2OS/c1-2-12-10(3-6-13-7-4-10)9-11-5-8-14-9/h5,8,12H,2-4,6-7H2,1H3
InChIKeyLJGJQWLEJBWBDT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.76
Rot. Bonds3

About N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine

N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine (PubChem CID 61330788) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine
PubChem CID61330788
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine
SMILESCCNC1(c2nccs2)CCOCC1
InChIInChI=1S/C10H16N2OS/c1-2-12-10(3-6-13-7-4-10)9-11-5-8-14-9/h5,8,12H,2-4,6-7H2,1H3
InChIKeyLJGJQWLEJBWBDT-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine?
The IUPAC name of N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine (CID 61330788) is N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine is CCNC1(c2nccs2)CCOCC1.
What is the InChIKey of N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine?
The InChIKey is LJGJQWLEJBWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-12-10(3-6-13-7-4-10)9-11-5-8-14-9/h5,8,12H,2-4,6-7H2,1H3.
What are the key properties of N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine?
N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine has a molecular weight of 212.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 61330788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).