N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate

C86H78F2N16O16S4 — CID 160768617

About N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate

N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate (PubChem CID 160768617) has the molecular formula C86H78F2N16O16S4 and a molecular weight of 1757.93 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate
• PubChem CID: 160768617
• Molecular Formula: C86H78F2N16O16S4
• Molecular Weight: 1757.93 g/mol
• Exact Mass: 1756.46
• IUPAC Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate
• SMILES: CC(=O)Cc1cc(C(=O)Nc2nnc(C(C)(F)F)s2)ccn1.CCOC(=O)NC(=O)c1ccccc1NC(=O)c1ccnc(CC(C)=O)c1.CCOC(=O)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2s1.COC(=O)c1cccnc1NC(=O)c1nc2ccccc2s1.O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1nc2ccccc2s1
• InChI: InChI=1S/C21H21N3O2S.C19H19N3O5.C18H15N3O4S.C15H11N3O3S.C13H12F2N4O2S/c25-19(22-14-8-2-1-3-9-14)15-10-4-5-11-16(15)23-20(26)21-24-17-12-6-7-13-18(17)27-21;1-3-27-19(26)22-18(25)15-6-4-5-7-16(15)21-17(24)13-8-9-20-14(11-13)10-12(2)23;1-2-25-18(24)21-15(22)11-7-3-4-8-12(11)19-16(23)17-20-13-9-5-6-10-14(13)26-17;1-21-15(20)9-5-4-8-16-12(9)18-13(19)14-17-10-6-2-3-7-11(10)22-14;1-7(20)5-9-6-8(3-4-16-9)10(21)17-12-19-18-11(22-12)13(2,14)15/h4-7,10-14H,1-3,8-9H2,(H,22,25)(H,23,26);4-9,11H,3,10H2,1-2H3,(H,21,24)(H,22,25,26);3-10H,2H2,1H3,(H,19,23)(H,21,22,24);2-8H,1H3,(H,16,18,19);3-4,6H,5H2,1-2H3,(H,17,19,21)
• InChIKey: RZABYCUYOQLWCP-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 448.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.93
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate?

The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate (CID 160768617) is N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate.

What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate?

The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate is CC(=O)Cc1cc(C(=O)Nc2nnc(C(C)(F)F)s2)ccn1.CCOC(=O)NC(=O)c1ccccc1NC(=O)c1ccnc(CC(C)=O)c1.CCOC(=O)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2s1.COC(=O)c1cccnc1NC(=O)c1nc2ccccc2s1.O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1nc2ccccc2s1.

What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate?

The InChIKey is RZABYCUYOQLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S.C19H19N3O5.C18H15N3O4S.C15H11N3O3S.C13H12F2N4O2S/c25-19(22-14-8-2-1-3-9-14)15-10-4-5-11-16(15)23-20(26)21-24-17-12-6-7-13-18(17)27-21;1-3-27-19(26)22-18(25)15-6-4-5-7-16(15)21-17(24)13-8-9-20-14(11-13)10-12(2)23;1-2-25-18(24)21-15(22)11-7-3-4-8-12(11)19-16(23)17-20-13-9-5-6-10-14(13)26-17;1-21-15(20)9-5-4-8-16-12(9)18-13(19)14-17-10-6-2-3-7-11(10)22-14;1-7(20)5-9-6-8(3-4-16-9)10(21)17-12-19-18-11(22-12)13(2,14)15/h4-7,10-14H,1-3,8-9H2,(H,22,25)(H,23,26);4-9,11H,3,10H2,1-2H3,(H,21,24)(H,22,25,26);3-10H,2H2,1H3,(H,19,23)(H,21,22,24);2-8H,1H3,(H,16,18,19);3-4,6H,5H2,1-2H3,(H,17,19,21).

What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate?

N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate has a molecular weight of 1757.93 g/mol, XLogP of 15.56, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylcarbamoyl)phenyl]-1,3-benzothiazole-2-carboxamide;N-[5-(1,1-difluoroethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)benzoyl]carbamate;ethyl N-[2-[[2-(2-oxopropyl)pyridine-4-carbonyl]amino]benzoyl]carbamate;methyl 2-(1,3-benzothiazole-2-carbonylamino)pyridine-3-carboxylate is sourced from PubChem (CID 160768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).