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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C164H225ClF2N26O4S — CID 157308386

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 157308386) has the molecular formula C164H225ClF2N26O4S and a molecular weight of 2730.30 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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 157308386
• Molecular Formula: C164H225ClF2N26O4S
• Molecular Weight: 2730.30 g/mol
• Exact Mass: 2727.76
• 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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• SMILES: CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1
• InChI: InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H17N.C11H12ClNS.C9H13N5.C9H12N4O/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;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;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,10,11,12,14)
• InChIKey: BCTHGXSXWHDEHG-UHFFFAOYSA-N
• XLogP: 36.87
• TPSA: 301.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 5
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.30
LogP ≤ 5	36.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 157308386) 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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The InChIKey is BCTHGXSXWHDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H17N.C11H12ClNS.C9H13N5.C9H12N4O/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;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;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-6,8H,7,9H2,1-3H3;4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,10,11,12,14).

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 2730.30 g/mol, XLogP of 36.87, 5 rotatable bonds, 1 hydrogen bond donors, and 30 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;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 157308386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).