2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol

C157H218ClN23O6S2 — CID 157337232

About 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol

2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol (PubChem CID 157337232) has the molecular formula C157H218ClN23O6S2 and a molecular weight of 2623.21 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol.

Molecular Properties

• Compound Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol
• PubChem CID: 157337232
• Molecular Formula: C157H218ClN23O6S2
• Molecular Weight: 2623.21 g/mol
• Exact Mass: 2620.66
• IUPAC Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol
• SMILES: C=C1C=C(C(C)(C)C)n2ncnc2N1.CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)cc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CN1Cc2ncccc2C(C(C)(C)C)C1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.Cc1cccc(C(C)(C)C)c1-n1cncn1.Cc1nc(C(C)(C)C)n2ncnc2n1
• InChI: InChI=1S/C17H24N2.2C16H22N2O.C16H24O2.C14H20O.C13H17N3.C13H20N2.C12H17N.C11H12ClNS.C10H14N4.C10H13NOS.C9H13N5/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14;1-10(2,3)9-7(12)6-8-11(9)4-5-13-8;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7,11H,8-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;4-6H,1-3H3;5-6H,1H2,2-4H3,(H,11,12,13);4-6,12H,1-3H3;5H,1-4H3
• InChIKey: BFYXZXOPPPVXKQ-UHFFFAOYSA-N
• XLogP: 38.27
• TPSA: 284.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 5
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.21
LogP ≤ 5	38.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol?

The IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol (CID 157337232) is 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol.

What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol?

The canonical SMILES for 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol is C=C1C=C(C(C)(C)C)n2ncnc2N1.CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)cc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CN1Cc2ncccc2C(C(C)(C)C)C1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.Cc1cccc(C(C)(C)C)c1-n1cncn1.Cc1nc(C(C)(C)C)n2ncnc2n1.

What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol?

The InChIKey is BFYXZXOPPPVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2C16H22N2O.C16H24O2.C14H20O.C13H17N3.C13H20N2.C12H17N.C11H12ClNS.C10H14N4.C10H13NOS.C9H13N5/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14;1-10(2,3)9-7(12)6-8-11(9)4-5-13-8;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7,11H,8-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;4-6H,1-3H3;5-6H,1H2,2-4H3,(H,11,12,13);4-6,12H,1-3H3;5H,1-4H3.

What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol?

2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol has a molecular weight of 2623.21 g/mol, XLogP of 38.27, 5 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol is sourced from PubChem (CID 157337232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).