tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane

C149H246N20S13 — CID 158010543

About tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane

tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane (PubChem CID 158010543) has the molecular formula C149H246N20S13 and a molecular weight of 2734.62 g/mol. Its IUPAC name is tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane.

Molecular Properties

• Compound Name: tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane
• PubChem CID: 158010543
• Molecular Formula: C149H246N20S13
• Molecular Weight: 2734.62 g/mol
• Exact Mass: 2731.62
• IUPAC Name: tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1cscn1.CC(C)(C)c1cscn1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CN(CC1CC1)CC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CCN1CCc2nc(C(C)(C)C)sc2C1.CN1CCc2nc(C(C)(C)C)sc2C1.Cc1nsc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1
• InChI: InChI=1S/C14H22N2S.C12H20N2S.C11H18N2S.3C11H13NS.C10H12N2S.C10H14.3C7H12N2S.3C7H11NS.8C2H6.CH4/c1-14(2,3)13-15-11-6-7-16(8-10-4-5-10)9-12(11)17-13;1-5-14-7-6-9-10(8-14)15-11(13-9)12(2,3)4;1-11(2,3)10-12-8-5-6-13(4)7-9(8)14-10;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;3*1-5-8-6(10-9-5)7(2,3)4;3*1-7(2,3)6-4-9-5-8-6;8*1-2;/h10H,4-9H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3*1-4H3;3*4-5H,1-3H3;8*1-2H3;1H4
• InChIKey: FEVGHOXWNCVKCM-UHFFFAOYSA-N
• XLogP: 47.81
• TPSA: 228.85 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 3
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2734.62
LogP ≤ 5	47.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane?

The IUPAC name of tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane (CID 158010543) is tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane.

What is the SMILES notation for tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane?

The canonical SMILES for tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1cscn1.CC(C)(C)c1cscn1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CN(CC1CC1)CC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CCN1CCc2nc(C(C)(C)C)sc2C1.CN1CCc2nc(C(C)(C)C)sc2C1.Cc1nsc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1.Cc1nsc(C(C)(C)C)n1.

What is the InChIKey of tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane?

The InChIKey is FEVGHOXWNCVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.C12H20N2S.C11H18N2S.3C11H13NS.C10H12N2S.C10H14.3C7H12N2S.3C7H11NS.8C2H6.CH4/c1-14(2,3)13-15-11-6-7-16(8-10-4-5-10)9-12(11)17-13;1-5-14-7-6-9-10(8-14)15-11(13-9)12(2,3)4;1-11(2,3)10-12-8-5-6-13(4)7-9(8)14-10;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;3*1-5-8-6(10-9-5)7(2,3)4;3*1-7(2,3)6-4-9-5-8-6;8*1-2;/h10H,4-9H2,1-3H3;5-8H2,1-4H3;5-7H2,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3*1-4H3;3*4-5H,1-3H3;8*1-2H3;1H4.

What are the key properties of tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane?

tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane has a molecular weight of 2734.62 g/mol, XLogP of 47.81, 3 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;tris(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);tris(4-tert-butyl-1,3-thiazole);2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;ethane;methane is sourced from PubChem (CID 158010543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).