N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine

C11H18N2OS — CID 106469378

IUPACN-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
SMILESCCNC1CCOCC1Cc1cncs1
InChIInChI=1S/C11H18N2OS/c1-2-13-11-3-4-14-7-9(11)5-10-6-12-8-15-10/h6,8-9,11,13H,2-5,7H2,1H3
InChIKeyZNUJLDTZKQMMPQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.70
Rot. Bonds4

About N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine

N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine (PubChem CID 106469378) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
PubChem CID106469378
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
SMILESCCNC1CCOCC1Cc1cncs1
InChIInChI=1S/C11H18N2OS/c1-2-13-11-3-4-14-7-9(11)5-10-6-12-8-15-10/h6,8-9,11,13H,2-5,7H2,1H3
InChIKeyZNUJLDTZKQMMPQ-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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Related Compounds

3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
3-[(5-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469279
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2-[[(3S,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177568
2-[[(3R,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177566
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine (CID 106469378) is N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine is CCNC1CCOCC1Cc1cncs1.
What is the InChIKey of N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine?
The InChIKey is ZNUJLDTZKQMMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-13-11-3-4-14-7-9(11)5-10-6-12-8-15-10/h6,8-9,11,13H,2-5,7H2,1H3.
What are the key properties of N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine?
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine 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-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106469378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).