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

C10H18N2O2S — CID 114361772

IUPAC[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(C)c1nc(COC)c(CN)s1
InChIInChI=1S/C10H18N2O2S/c1-4-14-7(2)10-12-8(6-13-3)9(5-11)15-10/h7H,4-6,11H2,1-3H3
InChIKeyKAINYDNOHRGAGT-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.85
Rot. Bonds6

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

[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361772) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361772
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(C)c1nc(COC)c(CN)s1
InChIInChI=1S/C10H18N2O2S/c1-4-14-7(2)10-12-8(6-13-3)9(5-11)15-10/h7H,4-6,11H2,1-3H3
InChIKeyKAINYDNOHRGAGT-UHFFFAOYSA-N
XLogP1.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 114361772) is [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is CCOC(C)c1nc(COC)c(CN)s1.
What is the InChIKey of [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KAINYDNOHRGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-14-7(2)10-12-8(6-13-3)9(5-11)15-10/h7H,4-6,11H2,1-3H3.
What are the key properties of [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 230.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).