1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone

C24H21FN6OS — CID 71678979

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2ccc(F)cc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H21FN6OS/c25-17-6-5-16-7-8-31(20(16)13-17)14-21(32)29-9-11-30(12-10-29)24-22(26-15-33-24)23-27-18-3-1-2-4-19(18)28-23/h1-8,13,15H,9-12,14H2,(H,27,28)
InChIKeySCVSRHNPAAZGQR-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.13
Rot. Bonds4

About 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone (PubChem CID 71678979) has the molecular formula C24H21FN6OS and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone
PubChem CID71678979
Molecular FormulaC24H21FN6OS
Molecular Weight460.54 g/mol
Exact Mass460.15
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2ccc(F)cc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H21FN6OS/c25-17-6-5-16-7-8-31(20(16)13-17)14-21(32)29-9-11-30(12-10-29)24-22(26-15-33-24)23-27-18-3-1-2-4-19(18)28-23/h1-8,13,15H,9-12,14H2,(H,27,28)
InChIKeySCVSRHNPAAZGQR-UHFFFAOYSA-N
XLogP4.13
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone
CID 71679145
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 71679631
4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
CID 29129372
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone
CID 121107261
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoroindol-1-yl)acetamide
CID 71703907
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-naphthalen-1-ylethanone
CID 126741130
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 166361978
1-[4-[4-(4-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 78147452
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
2-imidazo[4,5-b]pyridin-3-yl-1-[2-methyl-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
CID 78147536

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone (CID 71678979) is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone is O=C(Cn1ccc2ccc(F)cc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone?
The InChIKey is SCVSRHNPAAZGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6OS/c25-17-6-5-16-7-8-31(20(16)13-17)14-21(32)29-9-11-30(12-10-29)24-22(26-15-33-24)23-27-18-3-1-2-4-19(18)28-23/h1-8,13,15H,9-12,14H2,(H,27,28).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone?
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone has a molecular weight of 460.54 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone is sourced from PubChem (CID 71678979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).