5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

C14H27N3O2S — CID 107509678

IUPAC5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(C)C)nc1COC
InChIInChI=1S/C14H27N3O2S/c1-11(2)9-17(3)14-16-12(10-19-5)13(20-14)8-15-6-7-18-4/h11,15H,6-10H2,1-5H3
InChIKeySYEXEXDOPXUCRN-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.12
Rot. Bonds10

About 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 107509678) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID107509678
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC(C)C)nc1COC
InChIInChI=1S/C14H27N3O2S/c1-11(2)9-17(3)14-16-12(10-19-5)13(20-14)8-15-6-7-18-4/h11,15H,6-10H2,1-5H3
InChIKeySYEXEXDOPXUCRN-UHFFFAOYSA-N
XLogP2.12
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 107509861
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 107510681
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107510440
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509950
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 107509678) is 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC(C)C)nc1COC.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is SYEXEXDOPXUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-11(2)9-17(3)14-16-12(10-19-5)13(20-14)8-15-6-7-18-4/h11,15H,6-10H2,1-5H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 301.46 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).