N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide

C21H21FN4O2S — CID 46289699

IUPACN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccccc4F)CC3)cc2s1
InChIInChI=1S/C21H21FN4O2S/c1-14(27)23-21-24-17-7-6-15(12-19(17)29-21)13-20(28)26-10-8-25(9-11-26)18-5-3-2-4-16(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)
InChIKeyWNEMDPIGWLYLJX-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.29
Rot. Bonds4

About N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46289699) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46289699
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC NameN-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccccc4F)CC3)cc2s1
InChIInChI=1S/C21H21FN4O2S/c1-14(27)23-21-24-17-7-6-15(12-19(17)29-21)13-20(28)26-10-8-25(9-11-26)18-5-3-2-4-16(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)
InChIKeyWNEMDPIGWLYLJX-UHFFFAOYSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide with MolForge

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Related Compounds

N-2-Benzothiazolylbenzeneacetamide
CID 591403
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
Casein kinase 1|A-IN-6
CID 77106258
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]piperidine-2-carboxamide
CID 23646594
H-Aba-ala-Gly-Phe-Met-OH
CID 44439910
Iwp-2
CID 2155128
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 7163152
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032589
(S)-(2-(Ethylsulfonyl)phenyl)(4-(6-fluorobenzo[d]thiazol-2-yl)-2-methylpiperazin-1-yl)methanone
CID 132145761
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide (CID 46289699) is N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(CC(=O)N3CCN(c4ccccc4F)CC3)cc2s1.
What is the InChIKey of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is WNEMDPIGWLYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-14(27)23-21-24-17-7-6-15(12-19(17)29-21)13-20(28)26-10-8-25(9-11-26)18-5-3-2-4-16(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,24,27).
What are the key properties of N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46289699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).