6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide

C15H18FN3OS — CID 81105318

IUPAC6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FN3OS/c16-12-2-1-11-9-14(21-13(11)10-12)15(20)18-5-8-19-6-3-17-4-7-19/h1-2,9-10,17H,3-8H2,(H,18,20)
InChIKeyRGEMTMUFLATQCD-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.68
Rot. Bonds4

About 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide

6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 81105318) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID81105318
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H18FN3OS/c16-12-2-1-11-9-14(21-13(11)10-12)15(20)18-5-8-19-6-3-17-4-7-19/h1-2,9-10,17H,3-8H2,(H,18,20)
InChIKeyRGEMTMUFLATQCD-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 119446251
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105185
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 115319654
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771
6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 78913758
N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide (CID 81105318) is 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCN1CCNCC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is RGEMTMUFLATQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c16-12-2-1-11-9-14(21-13(11)10-12)15(20)18-5-8-19-6-3-17-4-7-19/h1-2,9-10,17H,3-8H2,(H,18,20).
What are the key properties of 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81105318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).