2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide

C24H31FN6O2S — CID 66937687

IUPAC2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2ncc(-c3c(F)cc(N4CCOCC4)c4[nH]ccc34)s2)CC1
InChIInChI=1S/C24H31FN6O2S/c1-24(2,23(26)32)31-7-5-29(6-8-31)15-20-28-14-19(34-20)21-16-3-4-27-22(16)18(13-17(21)25)30-9-11-33-12-10-30/h3-4,13-14,27H,5-12,15H2,1-2H3,(H2,26,32)
InChIKeyADLHXYCPVMJZLE-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.65
Rot. Bonds6

About 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 66937687) has the molecular formula C24H31FN6O2S and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID66937687
Molecular FormulaC24H31FN6O2S
Molecular Weight486.62 g/mol
Exact Mass486.22
IUPAC Name2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2ncc(-c3c(F)cc(N4CCOCC4)c4[nH]ccc34)s2)CC1
InChIInChI=1S/C24H31FN6O2S/c1-24(2,23(26)32)31-7-5-29(6-8-31)15-20-28-14-19(34-20)21-16-3-4-27-22(16)18(13-17(21)25)30-9-11-33-12-10-30/h3-4,13-14,27H,5-12,15H2,1-2H3,(H2,26,32)
InChIKeyADLHXYCPVMJZLE-UHFFFAOYSA-N
XLogP2.65
TPSA90.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide with MolForge

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Related Compounds

[5-[(2-Hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-quinoxalin-6-yl-2,3-dihydroindol-1-yl)methanone
CID 164628013
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 66938001
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine
CID 67499105
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine
CID 67500099
4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
CID 68570249
4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine
CID 69084256
N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 118279411
N-[5-[5-amino-4-[N-ethyl-C-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]carbonimidoyl]-2-pyridinyl]-3-pyridinyl]-2-(dimethylamino)acetamide
CID 145254792
2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42780375
(2,6-dimethylmorpholin-4-yl)-[2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-thiazol-4-yl]methanone
CID 42780376
N-(3,4-dimethylphenyl)-2-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42780379
2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42780388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 66937687) is 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(Cc2ncc(-c3c(F)cc(N4CCOCC4)c4[nH]ccc34)s2)CC1.
What is the InChIKey of 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is ADLHXYCPVMJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2S/c1-24(2,23(26)32)31-7-5-29(6-8-31)15-20-28-14-19(34-20)21-16-3-4-27-22(16)18(13-17(21)25)30-9-11-33-12-10-30/h3-4,13-14,27H,5-12,15H2,1-2H3,(H2,26,32).
What are the key properties of 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 486.62 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 66937687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).