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

C22H24N4O3S — CID 46289696

IUPACN-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc4nc(NC(C)=O)sc4c3)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-15(27)23-22-24-19-8-3-16(13-20(19)30-22)14-21(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,27)
InChIKeyJHFNMBLEGAOVIV-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.15
Rot. Bonds5

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

N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46289696) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46289696
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc4nc(NC(C)=O)sc4c3)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-15(27)23-22-24-19-8-3-16(13-20(19)30-22)14-21(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,27)
InChIKeyJHFNMBLEGAOVIV-UHFFFAOYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289699
ethyl 1-[2-(2-acetamido-1,3-benzothiazol-6-yl)acetyl]piperidine-4-carboxylate
CID 46289648
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289472
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640960
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 71706113
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289401
2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448
1-[4-[2-(ethylamino)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
CID 96710328

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide (CID 46289696) is N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide is COc1ccc(N2CCN(C(=O)Cc3ccc4nc(NC(C)=O)sc4c3)CC2)cc1.
What is the InChIKey of N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is JHFNMBLEGAOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15(27)23-22-24-19-8-3-16(13-20(19)30-22)14-21(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,27).
What are the key properties of N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46289696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).