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

C13H23N3O2S — CID 114361692

IUPAC[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2CN(C(C)C)CCO2)sc1CN
InChIInChI=1S/C13H23N3O2S/c1-9(2)16-4-5-18-11(7-16)13-15-10(8-17-3)12(6-14)19-13/h9,11H,4-8,14H2,1-3H3
InChIKeyHRILDIFFAXNQAS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.53
Rot. Bonds5

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

[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361692) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361692
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2CN(C(C)C)CCO2)sc1CN
InChIInChI=1S/C13H23N3O2S/c1-9(2)16-4-5-18-11(7-16)13-15-10(8-17-3)12(6-14)19-13/h9,11H,4-8,14H2,1-3H3
InChIKeyHRILDIFFAXNQAS-UHFFFAOYSA-N
XLogP1.53
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine (CID 114361692) is [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine is COCc1nc(C2CN(C(C)C)CCO2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HRILDIFFAXNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)16-4-5-18-11(7-16)13-15-10(8-17-3)12(6-14)19-13/h9,11H,4-8,14H2,1-3H3.
What are the key properties of [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 285.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).