2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole

C183H208N22O7S25 — CID 159245976

About 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole

2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole (PubChem CID 159245976) has the molecular formula C183H208N22O7S25 and a molecular weight of 3629.50 g/mol. Its IUPAC name is 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole
• PubChem CID: 159245976
• Molecular Formula: C183H208N22O7S25
• Molecular Weight: 3629.50 g/mol
• Exact Mass: 3624.96
• IUPAC Name: 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole
• SMILES: CC(C)(C)Oc1nc2ccccc2s1.CC(C)(C)Sc1nc2ccccc2s1.CC(C)COc1nc2ccccc2s1.CC(C)CSc1nc2ccccc2s1.CC(C)Nc1nc2ccccc2s1.CC(C)Oc1nc2ccccc2s1.CC(C)Sc1nc2ccccc2s1.CCC(C)Oc1nc2ccccc2s1.CCC(C)Sc1nc2ccccc2s1.CCCCOc1nc2ccccc2s1.CCCCSc1nc2ccccc2s1.CCCNc1nc2ccccc2s1.CCCOc1nc2ccccc2s1.CCCSc1nc2ccccc2s1.CCNc1nc2ccccc2s1.CCOc1nc2ccccc2s1.CCSc1nc2ccccc2s1.CNc1nc2ccccc2s1
• InChI: InChI=1S/4C11H13NOS.4C11H13NS2.2C10H12N2S.2C10H11NOS.2C10H11NS2.C9H10N2S.C9H9NOS.C9H9NS2.C8H8N2S/c1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11;1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11;1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11;1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-2-7-11-10-12-8-5-3-4-6-9(8)13-10;1-7(2)12-10-11-8-5-3-4-6-9(8)13-10;1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;1-7(2)12-10-11-8-5-3-4-6-9(8)13-10;1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;1-2-10-9-11-7-5-3-4-6-8(7)12-9;2*1-2-11-9-10-7-5-3-4-6-8(7)12-9;1-9-8-10-6-4-2-3-5-7(6)11-8/h4-7H,1-3H3;3-6,8H,7H2,1-2H3;4-8H,3H2,1-2H3;4-7H,2-3,8H2,1H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;4-8H,3H2,1-2H3;4-7H,2-3,8H2,1H3;3-7H,1-2H3,(H,11,12);3-6H,2,7H2,1H3,(H,11,12);3-7H,1-2H3;3-6H,2,7H2,1H3;3-7H,1-2H3;3-6H,2,7H2,1H3;3-6H,2H2,1H3,(H,10,11);2*3-6H,2H2,1H3;2-5H,1H3,(H,9,10)
• InChIKey: KURNTWIDPGRTKD-UHFFFAOYSA-N
• XLogP: 61.53
• TPSA: 344.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 54
• Rotatable Bonds: 44
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3629.50
LogP ≤ 5	61.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole?

The IUPAC name of 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole (CID 159245976) is 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole.

What is the SMILES notation for 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole?

The canonical SMILES for 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole is CC(C)(C)Oc1nc2ccccc2s1.CC(C)(C)Sc1nc2ccccc2s1.CC(C)COc1nc2ccccc2s1.CC(C)CSc1nc2ccccc2s1.CC(C)Nc1nc2ccccc2s1.CC(C)Oc1nc2ccccc2s1.CC(C)Sc1nc2ccccc2s1.CCC(C)Oc1nc2ccccc2s1.CCC(C)Sc1nc2ccccc2s1.CCCCOc1nc2ccccc2s1.CCCCSc1nc2ccccc2s1.CCCNc1nc2ccccc2s1.CCCOc1nc2ccccc2s1.CCCSc1nc2ccccc2s1.CCNc1nc2ccccc2s1.CCOc1nc2ccccc2s1.CCSc1nc2ccccc2s1.CNc1nc2ccccc2s1.

What is the InChIKey of 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole?

The InChIKey is KURNTWIDPGRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H13NOS.4C11H13NS2.2C10H12N2S.2C10H11NOS.2C10H11NS2.C9H10N2S.C9H9NOS.C9H9NS2.C8H8N2S/c1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11;1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11;1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11;1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-2-7-11-10-12-8-5-3-4-6-9(8)13-10;1-7(2)12-10-11-8-5-3-4-6-9(8)13-10;1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;1-7(2)12-10-11-8-5-3-4-6-9(8)13-10;1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;1-2-10-9-11-7-5-3-4-6-8(7)12-9;2*1-2-11-9-10-7-5-3-4-6-8(7)12-9;1-9-8-10-6-4-2-3-5-7(6)11-8/h4-7H,1-3H3;3-6,8H,7H2,1-2H3;4-8H,3H2,1-2H3;4-7H,2-3,8H2,1H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;4-8H,3H2,1-2H3;4-7H,2-3,8H2,1H3;3-7H,1-2H3,(H,11,12);3-6H,2,7H2,1H3,(H,11,12);3-7H,1-2H3;3-6H,2,7H2,1H3;3-7H,1-2H3;3-6H,2,7H2,1H3;3-6H,2H2,1H3,(H,10,11);2*3-6H,2H2,1H3;2-5H,1H3,(H,9,10).

What are the key properties of 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole?

2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole has a molecular weight of 3629.50 g/mol, XLogP of 61.53, 44 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yloxy-1,3-benzothiazole;2-butan-2-ylsulfanyl-1,3-benzothiazole;2-butoxy-1,3-benzothiazole;2-butylsulfanyl-1,3-benzothiazole;2-tert-butylsulfanyl-1,3-benzothiazole;2-ethoxy-1,3-benzothiazole;N-ethyl-1,3-benzothiazol-2-amine;2-ethylsulfanyl-1,3-benzothiazole;N-methyl-1,3-benzothiazol-2-amine;2-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole;2-(2-methylpropoxy)-1,3-benzothiazole;2-(2-methylpropylsulfanyl)-1,3-benzothiazole;N-propan-2-yl-1,3-benzothiazol-2-amine;2-propan-2-yloxy-1,3-benzothiazole;2-propan-2-ylsulfanyl-1,3-benzothiazole;2-propoxy-1,3-benzothiazole;N-propyl-1,3-benzothiazol-2-amine;2-propylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 159245976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).