2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C18H27N5O2S — CID 134133441

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2c1
InChIInChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24)
InChIKeyZHRGWCFBAOMKKN-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.42
Rot. Bonds7

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 134133441) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID134133441
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2c1
InChIInChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24)
InChIKeyZHRGWCFBAOMKKN-UHFFFAOYSA-N
XLogP1.42
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Diamthazole
CID 8708
2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 3511405
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 134133441) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZHRGWCFBAOMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 377.51 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 134133441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).