2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C27H32N4OS — CID 3505849

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC1CCc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1
InChIInChI=1S/C27H32N4OS/c1-20-12-13-23-24(18-20)33-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,26H,12-19H2,1H3,(H,28,29,32)
InChIKeyFGFIICWMBVSEEM-UHFFFAOYSA-N
MW460.65 g/mol
LogP4.61
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3505849) has the molecular formula C27H32N4OS and a molecular weight of 460.65 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3505849
Molecular FormulaC27H32N4OS
Molecular Weight460.65 g/mol
Exact Mass460.23
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC1CCc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1
InChIInChI=1S/C27H32N4OS/c1-20-12-13-23-24(18-20)33-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,26H,12-19H2,1H3,(H,28,29,32)
InChIKeyFGFIICWMBVSEEM-UHFFFAOYSA-N
XLogP4.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 119271168
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
3-(benzenesulfonyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7189633
3-(4-methylphenyl)sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7254576
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22198267
3-(benzylcarbamoylamino)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 24586311
[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate
CID 1396464
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17469606
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 92634104
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3505849) is 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CC1CCc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FGFIICWMBVSEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4OS/c1-20-12-13-23-24(18-20)33-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,26H,12-19H2,1H3,(H,28,29,32).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 460.65 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).