5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine

C13H25N3O3S — CID 107510117

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)c1nc(COC)c(CN)s1
InChIInChI=1S/C13H25N3O3S/c1-17-7-4-5-16(6-8-18-2)13-15-11(10-19-3)12(9-14)20-13/h4-10,14H2,1-3H3
InChIKeyRFHVBTVCMRAMAH-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.24
Rot. Bonds11

About 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine (PubChem CID 107510117) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
PubChem CID107510117
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)c1nc(COC)c(CN)s1
InChIInChI=1S/C13H25N3O3S/c1-17-7-4-5-16(6-8-18-2)13-15-11(10-19-3)12(9-14)20-13/h4-10,14H2,1-3H3
InChIKeyRFHVBTVCMRAMAH-UHFFFAOYSA-N
XLogP1.24
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine (CID 107510117) is 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine is COCCCN(CCOC)c1nc(COC)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The InChIKey is RFHVBTVCMRAMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-17-7-4-5-16(6-8-18-2)13-15-11(10-19-3)12(9-14)20-13/h4-10,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 1.24, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).