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

C12H18N2O4S — CID 62715992

IUPACmethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCC(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H18N2O4S/c1-3-5-18-6-4-10(15)14-12-13-9(8-19-12)7-11(16)17-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHKDFYCKVCVPKHY-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.61
Rot. Bonds8

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

methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 62715992) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID62715992
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCC(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H18N2O4S/c1-3-5-18-6-4-10(15)14-12-13-9(8-19-12)7-11(16)17-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHKDFYCKVCVPKHY-UHFFFAOYSA-N
XLogP1.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
methyl 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 38984448
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-propoxypropanamide
CID 64556081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate (CID 62715992) is methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate is CCCOCCC(=O)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HKDFYCKVCVPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-5-18-6-4-10(15)14-12-13-9(8-19-12)7-11(16)17-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 286.35 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 62715992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).