[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C22H21N3O5S — CID 55448155

IUPAC[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)CCNC(=O)c2ccco2)cs1
InChIInChI=1S/C22H21N3O5S/c1-14-24-17(13-31-14)15-4-5-18-16(11-15)7-9-25(18)20(26)12-30-21(27)6-8-23-22(28)19-3-2-10-29-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,28)
InChIKeyQUSAGDKOMDCFGJ-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.96
Rot. Bonds7

About [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 55448155) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID55448155
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)CCNC(=O)c2ccco2)cs1
InChIInChI=1S/C22H21N3O5S/c1-14-24-17(13-31-14)15-4-5-18-16(11-15)7-9-25(18)20(26)12-30-21(27)6-8-23-22(28)19-3-2-10-29-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,28)
InChIKeyQUSAGDKOMDCFGJ-UHFFFAOYSA-N
XLogP2.96
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449581
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 37327796
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 37323273
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 25477722
[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-2-yl)methanone
CID 53179846
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18206501
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 126767182
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 55448155) is [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is Cc1nc(-c2ccc3c(c2)CCN3C(=O)COC(=O)CCNC(=O)c2ccco2)cs1.
What is the InChIKey of [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is QUSAGDKOMDCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-14-24-17(13-31-14)15-4-5-18-16(11-15)7-9-25(18)20(26)12-30-21(27)6-8-23-22(28)19-3-2-10-29-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,28).
What are the key properties of [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 439.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 55448155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).