[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate

C23H26FN3O4S — CID 155213869

IUPAC[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate
SMILESCC[C@H](OC(=O)CCCN1CCOCC1)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C23H26FN3O4S/c1-2-20(31-21(28)4-3-7-27-8-10-30-11-9-27)19-14-32-23(26-19)22(29)17-13-25-18-12-15(24)5-6-16(17)18/h5-6,12-14,20,25H,2-4,7-11H2,1H3/t20-/m0/s1
InChIKeyBOPQFVLODPJCRJ-FQEVSTJZSA-N
MW459.54 g/mol
LogP4.10
Rot. Bonds9

About [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate

[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate (PubChem CID 155213869) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate
PubChem CID155213869
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate
SMILESCC[C@H](OC(=O)CCCN1CCOCC1)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1
InChIInChI=1S/C23H26FN3O4S/c1-2-20(31-21(28)4-3-7-27-8-10-30-11-9-27)19-14-32-23(26-19)22(29)17-13-25-18-12-15(24)5-6-16(17)18/h5-6,12-14,20,25H,2-4,7-11H2,1H3/t20-/m0/s1
InChIKeyBOPQFVLODPJCRJ-FQEVSTJZSA-N
XLogP4.10
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate?
The IUPAC name of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate (CID 155213869) is [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate.
What is the SMILES notation for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate?
The canonical SMILES for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate is CC[C@H](OC(=O)CCCN1CCOCC1)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate?
The InChIKey is BOPQFVLODPJCRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-2-20(31-21(28)4-3-7-27-8-10-30-11-9-27)19-14-32-23(26-19)22(29)17-13-25-18-12-15(24)5-6-16(17)18/h5-6,12-14,20,25H,2-4,7-11H2,1H3/t20-/m0/s1.
What are the key properties of [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate?
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate has a molecular weight of 459.54 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-morpholin-4-ylbutanoate is sourced from PubChem (CID 155213869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).