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

C20H24N4O2S — CID 71601701

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C20H24N4O2S/c25-18(22-20-21-16-8-4-5-9-17(16)27-20)14-23-10-12-24(13-11-23)19(26)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,21,22,25)
InChIKeyXFVAEIKSXQNSQB-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.42
Rot. Bonds4

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

2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71601701) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71601701
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C20H24N4O2S/c25-18(22-20-21-16-8-4-5-9-17(16)27-20)14-23-10-12-24(13-11-23)19(26)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,21,22,25)
InChIKeyXFVAEIKSXQNSQB-UHFFFAOYSA-N
XLogP2.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71601701) is 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XFVAEIKSXQNSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(22-20-21-16-8-4-5-9-17(16)27-20)14-23-10-12-24(13-11-23)19(26)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,21,22,25).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71601701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).