N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride

C28H24ClN3O2S2 — CID 44973728

About N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride (PubChem CID 44973728) has the molecular formula C28H24ClN3O2S2 and a molecular weight of 534.11 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride
• PubChem CID: 44973728
• Molecular Formula: C28H24ClN3O2S2
• Molecular Weight: 534.11 g/mol
• Exact Mass: 533.10
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride
• SMILES: CN1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2-c2nc3ccccc3s2)C1.Cl
• InChI: InChI=1S/C28H23N3O2S2.ClH/c1-31-16-15-20-24(17-31)35-28(25(20)27-29-21-12-6-8-14-23(21)34-27)30-26(32)19-11-5-7-13-22(19)33-18-9-3-2-4-10-18;/h2-14H,15-17H2,1H3,(H,30,32);1H
• InChIKey: UPNCXJWTGMCFEF-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.11
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride (CID 44973728) is N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride is CN1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2-c2nc3ccccc3s2)C1.Cl.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride?

The InChIKey is UPNCXJWTGMCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2S2.ClH/c1-31-16-15-20-24(17-31)35-28(25(20)27-29-21-12-6-8-14-23(21)34-27)30-26(32)19-11-5-7-13-22(19)33-18-9-3-2-4-10-18;/h2-14H,15-17H2,1H3,(H,30,32);1H.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride?

N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride has a molecular weight of 534.11 g/mol, XLogP of 7.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 44973728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).