(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine

C14H20N4OS — CID 128993767

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cscn1
InChIInChI=1S/C14H20N4OS/c1-2-18-6-5-15-14(18)13-12(4-3-7-19-13)16-8-11-9-20-10-17-11/h5-6,9-10,12-13,16H,2-4,7-8H2,1H3/t12-,13-/m0/s1
InChIKeyJVJGXLKWSSBQMR-STQMWFEESA-N
MW292.41 g/mol
LogP2.37
Rot. Bonds5

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine (PubChem CID 128993767) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
PubChem CID128993767
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cscn1
InChIInChI=1S/C14H20N4OS/c1-2-18-6-5-15-14(18)13-12(4-3-7-19-13)16-8-11-9-20-10-17-11/h5-6,9-10,12-13,16H,2-4,7-8H2,1H3/t12-,13-/m0/s1
InChIKeyJVJGXLKWSSBQMR-STQMWFEESA-N
XLogP2.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128991372
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
CID 128971761
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
CID 129400618
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
(2S,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(1-ethylimidazol-2-yl)oxan-3-amine
CID 128998295
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
CID 128970916
cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 129006854
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[3-(4-fluorophenyl)cyclobutyl]oxan-3-amine
CID 129001362
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine (CID 128993767) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cscn1.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine?
The InChIKey is JVJGXLKWSSBQMR-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-18-6-5-15-14(18)13-12(4-3-7-19-13)16-8-11-9-20-10-17-11/h5-6,9-10,12-13,16H,2-4,7-8H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine has a molecular weight of 292.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine is sourced from PubChem (CID 128993767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).