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

C20H26N4OS — CID 667090

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC1CCc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2C1
InChIInChI=1S/C20H26N4OS/c1-15-7-8-17-18(13-15)26-20(21-17)22-19(25)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,22,25)
InChIKeyUVWLPUGJZXIFTB-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.03
Rot. Bonds4

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

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 667090) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID667090
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC1CCc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2C1
InChIInChI=1S/C20H26N4OS/c1-15-7-8-17-18(13-15)26-20(21-17)22-19(25)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,22,25)
InChIKeyUVWLPUGJZXIFTB-UHFFFAOYSA-N
XLogP3.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}(4-methylpiperidin-1-yl)methanone
CID 1096815
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 646146
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 658908
N-benzyl-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096819
2-(4-benzyl-1-piperazinyl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide
CID 1504192
(E)-N-(5-benzyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)-2-cyano-3-[4-(dimethylamino)phenyl]acrylamide
CID 2327787
(Z)-N-(5-benzyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)-2-cyano-3-[4-(dimethylamino)phenyl]acrylamide
CID 2327789
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,2-diphenylacetamide
CID 2464292
2-(4-ethyl-1-piperazinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6459071

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 667090) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is CC1CCc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is UVWLPUGJZXIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-7-8-17-18(13-15)26-20(21-17)22-19(25)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,21,22,25).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 667090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).