5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C11H21N3OS — CID 115655685

IUPAC5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC(C)CNCc1cnc(N(C)C)s1
InChIInChI=1S/C11H21N3OS/c1-5-15-9(2)6-12-7-10-8-13-11(16-10)14(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyIAFYNYKECVYRFK-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.72
Rot. Bonds7

About 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 115655685) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID115655685
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC(C)CNCc1cnc(N(C)C)s1
InChIInChI=1S/C11H21N3OS/c1-5-15-9(2)6-12-7-10-8-13-11(16-10)14(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyIAFYNYKECVYRFK-UHFFFAOYSA-N
XLogP1.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 115655685) is 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CCOC(C)CNCc1cnc(N(C)C)s1.
What is the InChIKey of 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IAFYNYKECVYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-15-9(2)6-12-7-10-8-13-11(16-10)14(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115655685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).