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

C11H18N2OS — CID 82717309

IUPACN-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
SMILESCCNC1(c2nc(C)cs2)CCOC1C
InChIInChI=1S/C11H18N2OS/c1-4-12-11(5-6-14-9(11)3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3
InChIKeyNSWKKNIOSQYMAU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.07
Rot. Bonds3

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

N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine (PubChem CID 82717309) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
PubChem CID82717309
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
SMILESCCNC1(c2nc(C)cs2)CCOC1C
InChIInChI=1S/C11H18N2OS/c1-4-12-11(5-6-14-9(11)3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3
InChIKeyNSWKKNIOSQYMAU-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine?
The IUPAC name of N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine (CID 82717309) is N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine is CCNC1(c2nc(C)cs2)CCOC1C.
What is the InChIKey of N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine?
The InChIKey is NSWKKNIOSQYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-12-11(5-6-14-9(11)3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine?
N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 82717309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).