4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C14H27N3OS2 — CID 107510697

IUPAC4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)CSC)nc1COC
InChIInChI=1S/C14H27N3OS2/c1-6-7-15-8-13-12(9-18-4)16-14(20-13)17(3)11(2)10-19-5/h11,15H,6-10H2,1-5H3
InChIKeyAOSDOEXCKUIJSI-UHFFFAOYSA-N
MW317.52 g/mol
LogP2.98
Rot. Bonds10

About 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 107510697) has the molecular formula C14H27N3OS2 and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID107510697
Molecular FormulaC14H27N3OS2
Molecular Weight317.52 g/mol
Exact Mass317.16
IUPAC Name4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)CSC)nc1COC
InChIInChI=1S/C14H27N3OS2/c1-6-7-15-8-13-12(9-18-4)16-14(20-13)17(3)11(2)10-19-5/h11,15H,6-10H2,1-5H3
InChIKeyAOSDOEXCKUIJSI-UHFFFAOYSA-N
XLogP2.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 107509861
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 107510681
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 115988003

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 107510697) is 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C(C)CSC)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is AOSDOEXCKUIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS2/c1-6-7-15-8-13-12(9-18-4)16-14(20-13)17(3)11(2)10-19-5/h11,15H,6-10H2,1-5H3.
What are the key properties of 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 317.52 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).