1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one

C19H28N4O3S — CID 53188230

About 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 53188230) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 53188230
• Molecular Formula: C19H28N4O3S
• Molecular Weight: 392.53 g/mol
• Exact Mass: 392.19
• IUPAC Name: 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCOCC2)CC3)CC1
• InChI: InChI=1S/C19H28N4O3S/c1-2-17(24)21-5-7-23(8-6-21)19-20-15-4-3-14(13-16(15)27-19)18(25)22-9-11-26-12-10-22/h14H,2-13H2,1H3
• InChIKey: MJCXNTCUZXVVTI-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.53
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one (CID 53188230) is 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)N2CCOCC2)CC3)CC1.

What is the InChIKey of 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The InChIKey is MJCXNTCUZXVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-2-17(24)21-5-7-23(8-6-21)19-20-15-4-3-14(13-16(15)27-19)18(25)22-9-11-26-12-10-22/h14H,2-13H2,1H3.

What are the key properties of 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 392.53 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53188230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).