[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C21H15FN2O3S — CID 8824624

IUPAC[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESC[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H15FN2O3S/c1-12(19(25)16-10-23-17-5-3-2-4-15(16)17)27-21(26)18-11-28-20(24-18)13-6-8-14(22)9-7-13/h2-12,23H,1H3/t12-/m0/s1
InChIKeyOSCXFPNVTSBPTD-LBPRGKRZSA-N
MW394.43 g/mol
LogP4.86
Rot. Bonds5

About [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824624) has the molecular formula C21H15FN2O3S and a molecular weight of 394.43 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824624
Molecular FormulaC21H15FN2O3S
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESC[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H15FN2O3S/c1-12(19(25)16-10-23-17-5-3-2-4-15(16)17)27-21(26)18-11-28-20(24-18)13-6-8-14(22)9-7-13/h2-12,23H,1H3/t12-/m0/s1
InChIKeyOSCXFPNVTSBPTD-LBPRGKRZSA-N
XLogP4.86
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
[2-(1H-indol-3-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2422059
Indolokine A5
CID 23651846
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960162
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
1-[2-(5-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 147701356
1-[2-(4-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 148844720
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 152134501
[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2689686
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 4124162
Tert-butyl 3-(5-acetyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 22676792
cyclopropylmethyl 2-[2-amino-1-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 67395347

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824624) is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is OSCXFPNVTSBPTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H15FN2O3S/c1-12(19(25)16-10-23-17-5-3-2-4-15(16)17)27-21(26)18-11-28-20(24-18)13-6-8-14(22)9-7-13/h2-12,23H,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).