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

C23H26FN3O4S — CID 155213872

IUPAC1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate
SMILESCCC(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
InChIKeyBOPQFVLODPJCRJ-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.10
Rot. Bonds9

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

1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate (PubChem CID 155213872) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate
PubChem CID155213872
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate
SMILESCCC(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
InChIKeyBOPQFVLODPJCRJ-UHFFFAOYSA-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

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

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-methylthiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506353
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-
CID 506354
[3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indol-1-yl]-acetic acid ethyl ester
CID 10092094
Indolokine A5
CID 23651846
Indolokine A3
CID 156515665
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
2-(5-fluoro-1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147680873
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-(5,6-difluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 149128481
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 152134501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate?
The IUPAC name of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate (CID 155213872) is 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate.
What is the SMILES notation for 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate?
The canonical SMILES for 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate is CCC(OC(=O)CCCN1CCOCC1)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1.
What is the InChIKey of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate?
The InChIKey is BOPQFVLODPJCRJ-UHFFFAOYSA-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.
What are the key properties of 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate?
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 1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-morpholin-4-ylbutanoate is sourced from PubChem (CID 155213872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).