N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C13H22N4O2S — CID 118774916

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2csc(N)n2)C[C@H](C)O1
InChIInChI=1S/C13H22N4O2S/c1-9-5-17(6-10(2)19-9)7-12(18)15-4-3-11-8-20-13(14)16-11/h8-10H,3-7H2,1-2H3,(H2,14,16)(H,15,18)/t9-,10+
InChIKeyPTICNDFDQCXULW-AOOOYVTPSA-N
MW298.41 g/mol
LogP0.49
Rot. Bonds5

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 118774916) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID118774916
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2csc(N)n2)C[C@H](C)O1
InChIInChI=1S/C13H22N4O2S/c1-9-5-17(6-10(2)19-9)7-12(18)15-4-3-11-8-20-13(14)16-11/h8-10H,3-7H2,1-2H3,(H2,14,16)(H,15,18)/t9-,10+
InChIKeyPTICNDFDQCXULW-AOOOYVTPSA-N
XLogP0.49
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 118774916) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)NCCc2csc(N)n2)C[C@H](C)O1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is PTICNDFDQCXULW-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-5-17(6-10(2)19-9)7-12(18)15-4-3-11-8-20-13(14)16-11/h8-10H,3-7H2,1-2H3,(H2,14,16)(H,15,18)/t9-,10+.
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 118774916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).