2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C16H22N4OS — CID 6459071

IUPAC2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2nc3ccc(C)cc3s2)CC1
InChIInChI=1S/C16H22N4OS/c1-3-19-6-8-20(9-7-19)11-15(21)18-16-17-13-5-4-12(2)10-14(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,18,21)
InChIKeyXKBVMOCNLCOTPQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 6459071) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID6459071
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2nc3ccc(C)cc3s2)CC1
InChIInChI=1S/C16H22N4OS/c1-3-19-6-8-20(9-7-19)11-15(21)18-16-17-13-5-4-12(2)10-14(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,18,21)
InChIKeyXKBVMOCNLCOTPQ-UHFFFAOYSA-N
XLogP2.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 6459071) is 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is CCN1CCN(CC(=O)Nc2nc3ccc(C)cc3s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XKBVMOCNLCOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-19-6-8-20(9-7-19)11-15(21)18-16-17-13-5-4-12(2)10-14(13)22-16/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 6459071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).