N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide

C13H21N3O2S — CID 110444179

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCOCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-9-19-12(14-10)15-11(17)8-16-4-6-18-7-5-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyWVHMEIJAMPFWCB-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.71
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 110444179) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID110444179
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCOCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-9-19-12(14-10)15-11(17)8-16-4-6-18-7-5-16/h9H,4-8H2,1-3H3,(H,14,15,17)
InChIKeyWVHMEIJAMPFWCB-UHFFFAOYSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide (CID 110444179) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide is CC(C)(C)c1csc(NC(=O)CN2CCOCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is WVHMEIJAMPFWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,3)10-9-19-12(14-10)15-11(17)8-16-4-6-18-7-5-16/h9H,4-8H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 283.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 110444179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).