5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

C173H207ClF5N17O5S3 — CID 160590056

About 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 160590056) has the molecular formula C173H207ClF5N17O5S3 and a molecular weight of 2831.32 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
• PubChem CID: 160590056
• Molecular Formula: C173H207ClF5N17O5S3
• Molecular Weight: 2831.32 g/mol
• Exact Mass: 2828.52
• IUPAC Name: 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
• SMILES: CC(C)C1=Nc2cccc(F)c2C1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccc(F)cc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1ccc2ccccc21.CC(C)n1cccn1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1
• InChI: InChI=1S/C17H23NO.4C12H15N.C11H10F3NO.C11H12FN.C11H13NO.2C11H13N.C10H10ClNS.C10H10FNO.C10H11NO.C10H11NS.C7H11NS.C6H10N2/c1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)8-5-3-4-7-8/h8-10,12H,4-7,11H2,1-3H3;3*4-6,8H,7H2,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3-6H,1-2H3
• InChIKey: RCWWXDNGMBGBOW-UHFFFAOYSA-N
• XLogP: 52.21
• TPSA: 261.70 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2831.32
LogP ≤ 5	52.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 160590056) is 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

What is the SMILES notation for 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The canonical SMILES for 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is CC(C)C1=Nc2cccc(F)c2C1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccc(F)cc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1ccc2ccccc21.CC(C)n1cccn1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.

What is the InChIKey of 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

The InChIKey is RCWWXDNGMBGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.4C12H15N.C11H10F3NO.C11H12FN.C11H13NO.2C11H13N.C10H10ClNS.C10H10FNO.C10H11NO.C10H11NS.C7H11NS.C6H10N2/c1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)8-5-3-4-7-8/h8-10,12H,4-7,11H2,1-3H3;3*4-6,8H,7H2,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;4-7H,1-3H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3-6H,1-2H3.

What are the key properties of 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?

5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 2831.32 g/mol, XLogP of 52.21, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 160590056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).