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

C15H27N3O2S — CID 107510440

IUPAC5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CC2C)nc1COC
InChIInChI=1S/C15H27N3O2S/c1-11-7-12(11)9-18(2)15-17-13(10-20-4)14(21-15)8-16-5-6-19-3/h11-12,16H,5-10H2,1-4H3
InChIKeyALVMYMBWCYDLRE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.12
Rot. Bonds10

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

5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107510440) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
PubChem CID107510440
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CC2C)nc1COC
InChIInChI=1S/C15H27N3O2S/c1-11-7-12(11)9-18(2)15-17-13(10-20-4)14(21-15)8-16-5-6-19-3/h11-12,16H,5-10H2,1-4H3
InChIKeyALVMYMBWCYDLRE-UHFFFAOYSA-N
XLogP2.12
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
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]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63864245
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 107510681
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 107509861
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440823
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
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine (CID 107510440) is 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC2CC2C)nc1COC.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ALVMYMBWCYDLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11-7-12(11)9-18(2)15-17-13(10-20-4)14(21-15)8-16-5-6-19-3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 313.47 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-methylcyclopropyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107510440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).