(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

C13H19N3OS — CID 110680552

IUPAC(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ncsc3C2)CC1
InChIInChI=1S/C13H19N3OS/c1-15-4-6-16(7-5-15)13(17)10-2-3-11-12(8-10)18-9-14-11/h9-10H,2-8H2,1H3
InChIKeyQHMAAPLPQQZKLS-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.02
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 110680552) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
PubChem CID110680552
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3ncsc3C2)CC1
InChIInChI=1S/C13H19N3OS/c1-15-4-6-16(7-5-15)13(17)10-2-3-11-12(8-10)18-9-14-11/h9-10H,2-8H2,1H3
InChIKeyQHMAAPLPQQZKLS-UHFFFAOYSA-N
XLogP1.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (CID 110680552) is (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is CN1CCN(C(=O)C2CCc3ncsc3C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The InChIKey is QHMAAPLPQQZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-4-6-16(7-5-15)13(17)10-2-3-11-12(8-10)18-9-14-11/h9-10H,2-8H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 110680552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).