2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide

C19H18F2N4OS — CID 138993730

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N4OS/c20-13-9-14(21)11-15(10-13)22-18(26)12-24-5-7-25(8-6-24)19-23-16-3-1-2-4-17(16)27-19/h1-4,9-11H,5-8,12H2,(H,22,26)
InChIKeyNMASWMVFCZMGGK-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 138993730) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID138993730
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N4OS/c20-13-9-14(21)11-15(10-13)22-18(26)12-24-5-7-25(8-6-24)19-23-16-3-1-2-4-17(16)27-19/h1-4,9-11H,5-8,12H2,(H,22,26)
InChIKeyNMASWMVFCZMGGK-UHFFFAOYSA-N
XLogP3.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 1498147
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78823360
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 91843016
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9390810
2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 11840150
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 17037875
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone
CID 616020
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 138993730) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide is O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is NMASWMVFCZMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c20-13-9-14(21)11-15(10-13)22-18(26)12-24-5-7-25(8-6-24)19-23-16-3-1-2-4-17(16)27-19/h1-4,9-11H,5-8,12H2,(H,22,26).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 388.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 138993730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).