1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one

C19H24N4OS — CID 170082871

About 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one

1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one (PubChem CID 170082871) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one.

Molecular Properties

• Compound Name: 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one
• PubChem CID: 170082871
• Molecular Formula: C19H24N4OS
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.17
• IUPAC Name: 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one
• SMILES: C[C@H]1CCC(c2ccc3sc(C4CN(C)CC(=O)N4C)nc3c2)=NC1
• InChI: InChI=1S/C19H24N4OS/c1-12-4-6-14(20-9-12)13-5-7-17-15(8-13)21-19(25-17)16-10-22(2)11-18(24)23(16)3/h5,7-8,12,16H,4,6,9-11H2,1-3H3/t12-,16?/m0/s1
• InChIKey: HIKXQMODNNFZGX-HKALDPMFSA-N
• XLogP: 2.96
• TPSA: 48.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one?

The IUPAC name of 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one (CID 170082871) is 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one.

What is the SMILES notation for 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one?

The canonical SMILES for 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one is C[C@H]1CCC(c2ccc3sc(C4CN(C)CC(=O)N4C)nc3c2)=NC1.

What is the InChIKey of 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one?

The InChIKey is HIKXQMODNNFZGX-HKALDPMFSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-4-6-14(20-9-12)13-5-7-17-15(8-13)21-19(25-17)16-10-22(2)11-18(24)23(16)3/h5,7-8,12,16H,4,6,9-11H2,1-3H3/t12-,16?/m0/s1.

What are the key properties of 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one?

1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one has a molecular weight of 356.50 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 170082871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).