dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol

C46H46Cl2F8N10O6S2 — CID 158984947

About dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol

dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol (PubChem CID 158984947) has the molecular formula C46H46Cl2F8N10O6S2 and a molecular weight of 1121.96 g/mol. Its IUPAC name is dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol.

Molecular Properties

• Compound Name: dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol
• PubChem CID: 158984947
• Molecular Formula: C46H46Cl2F8N10O6S2
• Molecular Weight: 1121.96 g/mol
• Exact Mass: 1120.23
• IUPAC Name: dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol
• SMILES: ClCCl.O=C(Nc1nc2cc(F)c(F)cc2s1)N1CCN(c2cc(F)c(C[C@H](O)CO)cc2F)CC1.O=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1.OC[C@@H](O)Cc1cc(F)c(N2CCNCC2)cc1F
• InChI: InChI=1S/C21H20F4N4O3S.C13H18F2N2O2.C11H6F2N4OS.CH2Cl2/c22-13-8-18(16(25)6-11(13)5-12(31)10-30)28-1-3-29(4-2-28)21(32)27-20-26-17-7-14(23)15(24)9-19(17)33-20;14-11-7-13(17-3-1-16-2-4-17)12(15)6-9(11)5-10(19)8-18;12-6-3-8-9(4-7(6)13)19-10(15-8)16-11(18)17-2-1-14-5-17;2-1-3/h6-9,12,30-31H,1-5,10H2,(H,26,27,32);6-7,10,16,18-19H,1-5,8H2;1-5H,(H,15,16,18);1H2/t12-;10-;;/m00../s1
• InChIKey: JPLNTXFRVRWENY-GVOXGFDXSA-N
• XLogP: 7.65
• TPSA: 204.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1121.96
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol?

The IUPAC name of dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol (CID 158984947) is dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol.

What is the SMILES notation for dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol?

The canonical SMILES for dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol is ClCCl.O=C(Nc1nc2cc(F)c(F)cc2s1)N1CCN(c2cc(F)c(C[C@H](O)CO)cc2F)CC1.O=C(Nc1nc2cc(F)c(F)cc2s1)n1ccnc1.OC[C@@H](O)Cc1cc(F)c(N2CCNCC2)cc1F.

What is the InChIKey of dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol?

The InChIKey is JPLNTXFRVRWENY-GVOXGFDXSA-N. The full InChI is InChI=1S/C21H20F4N4O3S.C13H18F2N2O2.C11H6F2N4OS.CH2Cl2/c22-13-8-18(16(25)6-11(13)5-12(31)10-30)28-1-3-29(4-2-28)21(32)27-20-26-17-7-14(23)15(24)9-19(17)33-20;14-11-7-13(17-3-1-16-2-4-17)12(15)6-9(11)5-10(19)8-18;12-6-3-8-9(4-7(6)13)19-10(15-8)16-11(18)17-2-1-14-5-17;2-1-3/h6-9,12,30-31H,1-5,10H2,(H,26,27,32);6-7,10,16,18-19H,1-5,8H2;1-5H,(H,15,16,18);1H2/t12-;10-;;/m00../s1.

What are the key properties of dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol?

dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol has a molecular weight of 1121.96 g/mol, XLogP of 7.65, 10 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;N-(5,6-difluoro-1,3-benzothiazol-2-yl)-4-[4-[(2S)-2,3-dihydroxypropyl]-2,5-difluorophenyl]piperazine-1-carboxamide;N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide;(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol is sourced from PubChem (CID 158984947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).