N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

C12H23N3OS — CID 107509684

IUPACN-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(COC)c(CNC)s1
InChIInChI=1S/C12H23N3OS/c1-5-7-15(6-2)12-14-10(9-16-4)11(17-12)8-13-3/h13H,5-9H2,1-4H3
InChIKeySAQKZTNYTXAUAB-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.25
Rot. Bonds8

About N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 107509684) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID107509684
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(COC)c(CNC)s1
InChIInChI=1S/C12H23N3OS/c1-5-7-15(6-2)12-14-10(9-16-4)11(17-12)8-13-3/h13H,5-9H2,1-4H3
InChIKeySAQKZTNYTXAUAB-UHFFFAOYSA-N
XLogP2.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (CID 107509684) is N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is CCCN(CC)c1nc(COC)c(CNC)s1.
What is the InChIKey of N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SAQKZTNYTXAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-7-15(6-2)12-14-10(9-16-4)11(17-12)8-13-3/h13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107509684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).