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

C8H12N2O2S — CID 164637602

IUPAC2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESCOCC(=O)N[C@@H](C)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-6(7-3-9-5-13-7)10-8(11)4-12-2/h3,5-6H,4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyKHULHSBNXIVGQJ-LURJTMIESA-N
MW200.26 g/mol
LogP0.97
Rot. Bonds4

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

2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 164637602) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID164637602
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESCOCC(=O)N[C@@H](C)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-6(7-3-9-5-13-7)10-8(11)4-12-2/h3,5-6H,4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyKHULHSBNXIVGQJ-LURJTMIESA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide (CID 164637602) is 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide is COCC(=O)N[C@@H](C)c1cncs1.
What is the InChIKey of 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is KHULHSBNXIVGQJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(7-3-9-5-13-7)10-8(11)4-12-2/h3,5-6H,4H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide?
2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 200.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 164637602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).