methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate

C10H14N2O4S — CID 62589885

IUPACmethyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOCCC(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C10H14N2O4S/c1-15-4-3-8(13)12-10-11-7(6-17-10)5-9(14)16-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGVSTWPVZFHKXCV-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.83
Rot. Bonds6

About methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 62589885) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID62589885
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOCCC(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C10H14N2O4S/c1-15-4-3-8(13)12-10-11-7(6-17-10)5-9(14)16-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGVSTWPVZFHKXCV-UHFFFAOYSA-N
XLogP0.83
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 38984448
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170611
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate (CID 62589885) is methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate is COCCC(=O)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is GVSTWPVZFHKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-15-4-3-8(13)12-10-11-7(6-17-10)5-9(14)16-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 258.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 62589885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).