2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide

C12H21N3O2S — CID 62473428

IUPAC2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-7-11(18-9(3)14-7)8(2)15-12(16)10(13)5-6-17-4/h8,10H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyKWTOKAQAZKXIAX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.30
Rot. Bonds6

About 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide

2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide (PubChem CID 62473428) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide
PubChem CID62473428
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-7-11(18-9(3)14-7)8(2)15-12(16)10(13)5-6-17-4/h8,10H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyKWTOKAQAZKXIAX-UHFFFAOYSA-N
XLogP1.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide (CID 62473428) is 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NC(C)c1sc(C)nc1C.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide?
The InChIKey is KWTOKAQAZKXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-7-11(18-9(3)14-7)8(2)15-12(16)10(13)5-6-17-4/h8,10H,5-6,13H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide?
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide has a molecular weight of 271.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 62473428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).