2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole

C16H18FN5S — CID 126858355

IUPAC2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C16H18FN5S/c17-13-1-2-15-14(11-13)19-12-22(15)9-6-20-4-7-21(8-5-20)16-18-3-10-23-16/h1-3,10-12H,4-9H2
InChIKeyLHLZBIRKMPSMND-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole

2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 126858355) has the molecular formula C16H18FN5S and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
PubChem CID126858355
Molecular FormulaC16H18FN5S
Molecular Weight331.42 g/mol
Exact Mass331.13
IUPAC Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C16H18FN5S/c17-13-1-2-15-14(11-13)19-12-22(15)9-6-20-4-7-21(8-5-20)16-18-3-10-23-16/h1-3,10-12H,4-9H2
InChIKeyLHLZBIRKMPSMND-UHFFFAOYSA-N
XLogP2.45
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 126858621
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
CID 126858331
7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 126858667
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
2-[4-[3-(2,4-difluorophenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68528637
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-butyl-5-fluorobenzimidazole
CID 134239298
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 126858241
1-(3-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 62052707
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18136751

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole (CID 126858355) is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole is Fc1ccc2c(c1)ncn2CCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is LHLZBIRKMPSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5S/c17-13-1-2-15-14(11-13)19-12-22(15)9-6-20-4-7-21(8-5-20)16-18-3-10-23-16/h1-3,10-12H,4-9H2.
What are the key properties of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 331.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126858355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).