[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine

C14H22N2O2S — CID 114361912

IUPAC[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC1(c2nc(C3CC3)c(CN)s2)CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(5-7-17-8-6-14)13-16-12(10-3-4-10)11(9-15)19-13/h10H,2-9,15H2,1H3
InChIKeyLFGOHZYAVJGZIY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.52
Rot. Bonds5

About [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361912) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361912
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC1(c2nc(C3CC3)c(CN)s2)CCOCC1
InChIInChI=1S/C14H22N2O2S/c1-2-18-14(5-7-17-8-6-14)13-16-12(10-3-4-10)11(9-15)19-13/h10H,2-9,15H2,1H3
InChIKeyLFGOHZYAVJGZIY-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine (CID 114361912) is [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine is CCOC1(c2nc(C3CC3)c(CN)s2)CCOCC1.
What is the InChIKey of [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LFGOHZYAVJGZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-18-14(5-7-17-8-6-14)13-16-12(10-3-4-10)11(9-15)19-13/h10H,2-9,15H2,1H3.
What are the key properties of [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).