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

C8H12N2O3S — CID 3774786

IUPACmethyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)CC1CSC(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)
InChIKeyRQVLHECBYXRYLY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.16
Rot. Bonds2

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

methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate (PubChem CID 3774786) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate
PubChem CID3774786
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Namemethyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCOC(=O)CC1CSC(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)
InChIKeyRQVLHECBYXRYLY-UHFFFAOYSA-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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Related Compounds

Methyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 13590071
Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 15038778
Ethyl 2-[2-[(2-chloroacetyl)amino]-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 57252623
Ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 5199406
methyl 2-[(4R)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 40558974
methyl 2-[(4S)-2-acetamido-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 40558975
Ethyl 2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 45076185
Ethyl 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 45124387
ethyl (4S,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488824
ethyl (4S,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488825
ethyl (4R,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488826
ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488827

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate (CID 3774786) is methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate is COC(=O)CC1CSC(NC(C)=O)=N1.
What is the InChIKey of methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The InChIKey is RQVLHECBYXRYLY-UHFFFAOYSA-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).
What are the key properties of methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate?
methyl 2-(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-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 3774786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).