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

C20H22N4OS — CID 32680776

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-6-8-16(9-7-15)21-19(25)14-23-10-12-24(13-11-23)20-22-17-4-2-3-5-18(17)26-20/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyCZWQBIGQSSWCAY-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.37
Rot. Bonds4

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

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 32680776) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID32680776
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-6-8-16(9-7-15)21-19(25)14-23-10-12-24(13-11-23)20-22-17-4-2-3-5-18(17)26-20/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyCZWQBIGQSSWCAY-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.37
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-(2,4-dimethylphenyl)acetamide
CID 1498147
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 138993730
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
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-(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-yl)piperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 17037875
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9390810
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-(2-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 3201387
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-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 32680776) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is CZWQBIGQSSWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-6-8-16(9-7-15)21-19(25)14-23-10-12-24(13-11-23)20-22-17-4-2-3-5-18(17)26-20/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.37, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 32680776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).