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

C13H21N3O2S — CID 56888457

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCc1nc(CCNC(=O)CC2COCCN2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyXFVASJIGDCALBE-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.80
Rot. Bonds5

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide (PubChem CID 56888457) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide
PubChem CID56888457
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCc1nc(CCNC(=O)CC2COCCN2)sc1C
InChIInChI=1S/C13H21N3O2S/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyXFVASJIGDCALBE-UHFFFAOYSA-N
XLogP0.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide (CID 56888457) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide is Cc1nc(CCNC(=O)CC2COCCN2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is XFVASJIGDCALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 283.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56888457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).