2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide

C10H18N4O2S — CID 103380513

IUPAC2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1snc(N)c1OC
InChIInChI=1S/C10H18N4O2S/c1-4-5-14(6-7(15)12-2)10-8(16-3)9(11)13-17-10/h4-6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyGADGFEDDIJEISE-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.70
Rot. Bonds6

About 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide

2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide (PubChem CID 103380513) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide
PubChem CID103380513
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1snc(N)c1OC
InChIInChI=1S/C10H18N4O2S/c1-4-5-14(6-7(15)12-2)10-8(16-3)9(11)13-17-10/h4-6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyGADGFEDDIJEISE-UHFFFAOYSA-N
XLogP0.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide (CID 103380513) is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1snc(N)c1OC.
What is the InChIKey of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide?
The InChIKey is GADGFEDDIJEISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-5-14(6-7(15)12-2)10-8(16-3)9(11)13-17-10/h4-6H2,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide?
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide has a molecular weight of 258.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 103380513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).