N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine

C11H18N2O2S — CID 79774031

IUPACN-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCOCC2)s1
InChIInChI=1S/C11H18N2O2S/c1-2-12-11-13-7-10(16-11)8-15-9-3-5-14-6-4-9/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyTZGBCNMVFDSFKZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.27
Rot. Bonds5

About N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine

N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774031) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine
PubChem CID79774031
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC2CCOCC2)s1
InChIInChI=1S/C11H18N2O2S/c1-2-12-11-13-7-10(16-11)8-15-9-3-5-14-6-4-9/h7,9H,2-6,8H2,1H3,(H,12,13)
InChIKeyTZGBCNMVFDSFKZ-UHFFFAOYSA-N
XLogP2.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine (CID 79774031) is N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine is CCNc1ncc(COC2CCOCC2)s1.
What is the InChIKey of N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine?
The InChIKey is TZGBCNMVFDSFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-12-11-13-7-10(16-11)8-15-9-3-5-14-6-4-9/h7,9H,2-6,8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine has a molecular weight of 242.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).