2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide

C10H18N4O2S — CID 120900081

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide
SMILESCOCCN(Cc1cnc(N)s1)C(C)C(N)=O
InChIInChI=1S/C10H18N4O2S/c1-7(9(11)15)14(3-4-16-2)6-8-5-13-10(12)17-8/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H2,12,13)
InChIKeyZGAQRUTVWSOVJB-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.05
Rot. Bonds7

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide

2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide (PubChem CID 120900081) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide
PubChem CID120900081
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide
SMILESCOCCN(Cc1cnc(N)s1)C(C)C(N)=O
InChIInChI=1S/C10H18N4O2S/c1-7(9(11)15)14(3-4-16-2)6-8-5-13-10(12)17-8/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H2,12,13)
InChIKeyZGAQRUTVWSOVJB-UHFFFAOYSA-N
XLogP0.05
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide (CID 120900081) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide is COCCN(Cc1cnc(N)s1)C(C)C(N)=O.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide?
The InChIKey is ZGAQRUTVWSOVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7(9(11)15)14(3-4-16-2)6-8-5-13-10(12)17-8/h5,7H,3-4,6H2,1-2H3,(H2,11,15)(H2,12,13).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide?
2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide has a molecular weight of 258.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 120900081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).