4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane

C96H136N20O15S13 — CID 159486067

About 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane

4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane (PubChem CID 159486067) has the molecular formula C96H136N20O15S13 and a molecular weight of 2227.14 g/mol. Its IUPAC name is 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane.

Molecular Properties

• Compound Name: 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane
• PubChem CID: 159486067
• Molecular Formula: C96H136N20O15S13
• Molecular Weight: 2227.14 g/mol
• Exact Mass: 2224.69
• IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane
• SMILES: CC(C)(C)OC(=O)NC1CCC(N)CC1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(N)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1.S.S.S.S.S.S.S.S
• InChI: InChI=1S/2C25H31N5O4S.C20H23N5O2S.C15H13N3O3S2.C11H22N2O2.8H2S/c2*1-25(2,3)34-24(32)29-16-7-5-15(6-8-16)28-23-30-19-10-9-17(14-21(19)35-23)33-18-11-12-27-20(13-18)22(31)26-4;1-22-19(26)17-10-15(8-9-23-17)27-14-6-7-16-18(11-14)28-20(25-16)24-13-4-2-12(21)3-5-13;1-16-14(19)12-7-10(5-6-17-12)21-9-3-4-11-13(8-9)22-15(18-11)23(2)20;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;;;;;;;;/h2*9-16H,5-8H2,1-4H3,(H,26,31)(H,28,30)(H,29,32);6-13H,2-5,21H2,1H3,(H,22,26)(H,24,25);3-8H,1-2H3,(H,16,19);8-9H,4-7,12H2,1-3H3,(H,13,14);8*1H2
• InChIKey: LXPFMFSUVZOHFH-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 476.63 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.14
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane?

The IUPAC name of 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane (CID 159486067) is 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane.

What is the SMILES notation for 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane?

The canonical SMILES for 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane is CC(C)(C)OC(=O)NC1CCC(N)CC1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(N)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1.S.S.S.S.S.S.S.S.

What is the InChIKey of 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane?

The InChIKey is LXPFMFSUVZOHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N5O4S.C20H23N5O2S.C15H13N3O3S2.C11H22N2O2.8H2S/c2*1-25(2,3)34-24(32)29-16-7-5-15(6-8-16)28-23-30-19-10-9-17(14-21(19)35-23)33-18-11-12-27-20(13-18)22(31)26-4;1-22-19(26)17-10-15(8-9-23-17)27-14-6-7-16-18(11-14)28-20(25-16)24-13-4-2-12(21)3-5-13;1-16-14(19)12-7-10(5-6-17-12)21-9-3-4-11-13(8-9)22-15(18-11)23(2)20;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;;;;;;;;/h2*9-16H,5-8H2,1-4H3,(H,26,31)(H,28,30)(H,29,32);6-13H,2-5,21H2,1H3,(H,22,26)(H,24,25);3-8H,1-2H3,(H,16,19);8-9H,4-7,12H2,1-3H3,(H,13,14);8*1H2.

What are the key properties of 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane?

4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane has a molecular weight of 2227.14 g/mol, XLogP of 18.97, 22 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[(4-aminocyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;tert-butyl N-(4-aminocyclohexyl)carbamate;bis(tert-butyl N-[4-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]cyclohexyl]carbamate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;sulfane is sourced from PubChem (CID 159486067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).