N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C14H24N2OS — CID 116727927

IUPACN-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(CNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-5-17-12(14(2,3)4)13-16-11(9-18-13)8-15-10-6-7-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyIEBSDEIIAJDGAJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.52
Rot. Bonds6

About N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 116727927) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID116727927
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCOC(c1nc(CNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-5-17-12(14(2,3)4)13-16-11(9-18-13)8-15-10-6-7-10/h9-10,12,15H,5-8H2,1-4H3
InChIKeyIEBSDEIIAJDGAJ-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731170
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116727826
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81063717
trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 97158615
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 86803526
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 116727927) is N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CCOC(c1nc(CNC2CC2)cs1)C(C)(C)C.
What is the InChIKey of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IEBSDEIIAJDGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-17-12(14(2,3)4)13-16-11(9-18-13)8-15-10-6-7-10/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 268.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116727927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).