[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C13H22N2O2S — CID 114361367

IUPAC[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C(C)C)c(CN)s2)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11-10(8-14)18-12(15-11)13(16-3)4-6-17-7-5-13/h9H,4-8,14H2,1-3H3
InChIKeyLFAITZLEBJZYQY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds4

About [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361367) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361367
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(C(C)C)c(CN)s2)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-9(2)11-10(8-14)18-12(15-11)13(16-3)4-6-17-7-5-13/h9H,4-8,14H2,1-3H3
InChIKeyLFAITZLEBJZYQY-UHFFFAOYSA-N
XLogP2.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361367) is [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is COC1(c2nc(C(C)C)c(CN)s2)CCOCC1.
What is the InChIKey of [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is LFAITZLEBJZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)11-10(8-14)18-12(15-11)13(16-3)4-6-17-7-5-13/h9H,4-8,14H2,1-3H3.
What are the key properties of [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).