N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H24N2O2S — CID 114366630

IUPACN-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)c1nc(COC)c(CNC2CC2)s1
InChIInChI=1S/C14H24N2O2S/c1-4-12(18-5-2)14-16-11(9-17-3)13(19-14)8-15-10-6-7-10/h10,12,15H,4-9H2,1-3H3
InChIKeyVTLLTSMQFWUJAT-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.03
Rot. Bonds9

About N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114366630) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114366630
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)c1nc(COC)c(CNC2CC2)s1
InChIInChI=1S/C14H24N2O2S/c1-4-12(18-5-2)14-16-11(9-17-3)13(19-14)8-15-10-6-7-10/h10,12,15H,4-9H2,1-3H3
InChIKeyVTLLTSMQFWUJAT-UHFFFAOYSA-N
XLogP3.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366676
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440685
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114366630) is N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC(CC)c1nc(COC)c(CNC2CC2)s1.
What is the InChIKey of N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is VTLLTSMQFWUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-12(18-5-2)14-16-11(9-17-3)13(19-14)8-15-10-6-7-10/h10,12,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 284.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114366630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).