methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate

C26H24FN3O3S — CID 67231540

IUPACmethyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3S/c1-33-22(31)15-30(13-12-18-14-28-21-5-3-2-4-20(18)21)26(32)23-24(16-8-10-19(27)11-9-16)34-25(29-23)17-6-7-17/h2-5,8-11,14,17,28H,6-7,12-13,15H2,1H3
InChIKeyZBVDTACECHTYFC-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.17
Rot. Bonds8

About methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate

methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate (PubChem CID 67231540) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate
PubChem CID67231540
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Namemethyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O3S/c1-33-22(31)15-30(13-12-18-14-28-21-5-3-2-4-20(18)21)26(32)23-24(16-8-10-19(27)11-9-16)34-25(29-23)17-6-7-17/h2-5,8-11,14,17,28H,6-7,12-13,15H2,1H3
InChIKeyZBVDTACECHTYFC-UHFFFAOYSA-N
XLogP5.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate (CID 67231540) is methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate is COC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate?
The InChIKey is ZBVDTACECHTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-33-22(31)15-30(13-12-18-14-28-21-5-3-2-4-20(18)21)26(32)23-24(16-8-10-19(27)11-9-16)34-25(29-23)17-6-7-17/h2-5,8-11,14,17,28H,6-7,12-13,15H2,1H3.
What are the key properties of methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate?
methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate has a molecular weight of 477.56 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-[2-(1H-indol-3-yl)ethyl]amino]acetate is sourced from PubChem (CID 67231540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).