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

C6H9NO2S — CID 138516558

IUPAC(2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate
SMILESCC(=O)OC1CN=C(C)S1
InChIInChI=1S/C6H9NO2S/c1-4-7-3-6(10-4)9-5(2)8/h6H,3H2,1-2H3
InChIKeyUVMDVKXFNOSJLD-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.04
Rot. Bonds1

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

(2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate (PubChem CID 138516558) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate.

Molecular Properties

Compound Name(2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate
PubChem CID138516558
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name(2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate
SMILESCC(=O)OC1CN=C(C)S1
InChIInChI=1S/C6H9NO2S/c1-4-7-3-6(10-4)9-5(2)8/h6H,3H2,1-2H3
InChIKeyUVMDVKXFNOSJLD-UHFFFAOYSA-N
XLogP1.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R,5R,6R)-2,3,4,5,6-pentaacetyloxycyclohexyl] propanoate
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[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
CID 94839790
(6-acetyloxycyclodecyl) acetate
CID 539578
(4-propylthietan-2-yl) acetate
CID 118481871
[(3S,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl] acetate
CID 45091098
cycloheptadecyl acetate
CID 57215828
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
cyclohexane;N,N-dimethylmethanamine;ethyl acetate
CID 166691993
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate?
The IUPAC name of (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate (CID 138516558) is (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate.
What is the SMILES notation for (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate?
The canonical SMILES for (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate is CC(=O)OC1CN=C(C)S1.
What is the InChIKey of (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate?
The InChIKey is UVMDVKXFNOSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-7-3-6(10-4)9-5(2)8/h6H,3H2,1-2H3.
What are the key properties of (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate?
(2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate has a molecular weight of 159.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5-dihydro-1,3-thiazol-5-yl) acetate is sourced from PubChem (CID 138516558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).