methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate

C8H12N2O3S — CID 40558974

IUPACmethyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)C[C@@H]1CSC(NC(C)=O)=N1
InChIInChI=1S/C8H12N2O3S/c1-5(11)9-8-10-6(4-14-8)3-7(12)13-2/h6H,3-4H2,1-2H3,(H,9,10,11)/t6-/m1/s1
InChIKeyRQVLHECBYXRYLY-ZCFIWIBFSA-N
MW216.26 g/mol
LogP0.16
Rot. Bonds2

About methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate

methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate (PubChem CID 40558974) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate
PubChem CID40558974
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Namemethyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)C[C@@H]1CSC(NC(C)=O)=N1
InChIInChI=1S/C8H12N2O3S/c1-5(11)9-8-10-6(4-14-8)3-7(12)13-2/h6H,3-4H2,1-2H3,(H,9,10,11)/t6-/m1/s1
InChIKeyRQVLHECBYXRYLY-ZCFIWIBFSA-N
XLogP0.16
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate (CID 40558974) is methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate is COC(=O)C[C@@H]1CSC(NC(C)=O)=N1.
What is the InChIKey of methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate?
The InChIKey is RQVLHECBYXRYLY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5(11)9-8-10-6(4-14-8)3-7(12)13-2/h6H,3-4H2,1-2H3,(H,9,10,11)/t6-/m1/s1.
What are the key properties of methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate?
methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate has a molecular weight of 216.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 40558974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).