N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide

C11H20N4O2S — CID 43665188

IUPACN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
SMILESCOc1nc(N(C)C)sc1CNCCNC(C)=O
InChIInChI=1S/C11H20N4O2S/c1-8(16)13-6-5-12-7-9-10(17-4)14-11(18-9)15(2)3/h12H,5-7H2,1-4H3,(H,13,16)
InChIKeyHRWWCWBDWOSXQD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.44
Rot. Bonds7

About N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide

N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide (PubChem CID 43665188) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
PubChem CID43665188
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
SMILESCOc1nc(N(C)C)sc1CNCCNC(C)=O
InChIInChI=1S/C11H20N4O2S/c1-8(16)13-6-5-12-7-9-10(17-4)14-11(18-9)15(2)3/h12H,5-7H2,1-4H3,(H,13,16)
InChIKeyHRWWCWBDWOSXQD-UHFFFAOYSA-N
XLogP0.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide (CID 43665188) is N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide is COc1nc(N(C)C)sc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
The InChIKey is HRWWCWBDWOSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8(16)13-6-5-12-7-9-10(17-4)14-11(18-9)15(2)3/h12H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide?
N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 43665188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).