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

C14H22N4OS — CID 2194209

IUPAC2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C14H22N4OS/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14/h2-10H2,1H3,(H,15,16,19)
InChIKeyICVRUIVYVCFYGR-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.21
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2194209) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2194209
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C14H22N4OS/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14/h2-10H2,1H3,(H,15,16,19)
InChIKeyICVRUIVYVCFYGR-UHFFFAOYSA-N
XLogP1.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2194209) is 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ICVRUIVYVCFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14/h2-10H2,1H3,(H,15,16,19).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2194209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).