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

C12H20N2O2S — CID 82440823

IUPACN-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(C2CC2)nc1COC
InChIInChI=1S/C12H20N2O2S/c1-15-6-5-13-7-11-10(8-16-2)14-12(17-11)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyNPKNBOSTLCRGCR-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.90
Rot. Bonds8

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

N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 82440823) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID82440823
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(C2CC2)nc1COC
InChIInChI=1S/C12H20N2O2S/c1-15-6-5-13-7-11-10(8-16-2)14-12(17-11)9-3-4-9/h9,13H,3-8H2,1-2H3
InChIKeyNPKNBOSTLCRGCR-UHFFFAOYSA-N
XLogP1.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366837
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366077
N-[[4-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366221
2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510835
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107510440
N-[[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440660

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine (CID 82440823) is N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1sc(C2CC2)nc1COC.
What is the InChIKey of N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is NPKNBOSTLCRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-15-6-5-13-7-11-10(8-16-2)14-12(17-11)9-3-4-9/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82440823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).