N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C20H21FN4OS — CID 50875700

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4OS/c1-14(19(26)23-20-22-17-4-2-3-5-18(17)27-20)24-10-12-25(13-11-24)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,23,26)
InChIKeyGAFTZKSGAXIKEE-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.58
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 50875700) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID50875700
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4OS/c1-14(19(26)23-20-22-17-4-2-3-5-18(17)27-20)24-10-12-25(13-11-24)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,23,26)
InChIKeyGAFTZKSGAXIKEE-UHFFFAOYSA-N
XLogP3.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 86892404
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 136525046
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395725
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53371206
(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 95908915
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
CID 60501385
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 50875700) is N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1nc2ccccc2s1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is GAFTZKSGAXIKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-14(19(26)23-20-22-17-4-2-3-5-18(17)27-20)24-10-12-25(13-11-24)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3,(H,22,23,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 50875700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).