cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)

C106H171N21OS12 — CID 157122711

About cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)

cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole) (PubChem CID 157122711) has the molecular formula C106H171N21OS12 and a molecular weight of 2140.48 g/mol. Its IUPAC name is cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole).

Molecular Properties

• Compound Name: cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
• PubChem CID: 157122711
• Molecular Formula: C106H171N21OS12
• Molecular Weight: 2140.48 g/mol
• Exact Mass: 2138.06
• IUPAC Name: cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
• SMILES: CC(C)COc1ncccn1.CC(C)CSc1ncccn1.CC(C)c1ccccc1.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccccc1.CCc1cnsn1.CCc1nnc(C)s1.CCc1nncs1.CSC.CSC.CSC.Cc1cncs1.Cc1cscn1.Cc1nccs1.c1ccncc1.c1ccncc1.c1cncnc1.c1cncnc1.c1cscn1.c1cscn1
• InChI: InChI=1S/C9H12.C8H12N2O.C8H12N2S.C8H10.C5H8N2S.2C5H5N.2C4H6N2S.2C4H4N2.3C4H5NS.2C3H3NS.6C3H8.3C2H6S/c1-8(2)9-6-4-3-5-7-9;2*1-7(2)6-11-8-9-4-3-5-10-8;1-2-8-6-4-3-5-7-8;1-3-5-7-6-4(2)8-5;2*1-2-4-6-5-3-1;1-2-4-6-5-3-7-4;1-2-4-3-5-7-6-4;2*1-2-5-4-6-3-1;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-2-5-3-4-1;9*1-3-2/h3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3;2*1-5H;2*3H,2H2,1H3;2*1-4H;3*2-3H,1H3;2*1-3H;6*3H2,1-2H3;3*1-2H3
• InChIKey: AIDVTKSDNRKUQP-UHFFFAOYSA-N
• XLogP: 33.60
• TPSA: 279.92 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.48
LogP ≤ 5	33.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)?

The IUPAC name of cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole) (CID 157122711) is cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole).

What is the SMILES notation for cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)?

The canonical SMILES for cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole) is CC(C)COc1ncccn1.CC(C)CSc1ncccn1.CC(C)c1ccccc1.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccccc1.CCc1cnsn1.CCc1nnc(C)s1.CCc1nncs1.CSC.CSC.CSC.Cc1cncs1.Cc1cscn1.Cc1nccs1.c1ccncc1.c1ccncc1.c1cncnc1.c1cncnc1.c1cscn1.c1cscn1.

What is the InChIKey of cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)?

The InChIKey is AIDVTKSDNRKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H12N2O.C8H12N2S.C8H10.C5H8N2S.2C5H5N.2C4H6N2S.2C4H4N2.3C4H5NS.2C3H3NS.6C3H8.3C2H6S/c1-8(2)9-6-4-3-5-7-9;2*1-7(2)6-11-8-9-4-3-5-10-8;1-2-8-6-4-3-5-7-8;1-3-5-7-6-4(2)8-5;2*1-2-4-6-5-3-1;1-2-4-6-5-3-7-4;1-2-4-3-5-7-6-4;2*1-2-5-4-6-3-1;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-2-5-3-4-1;9*1-3-2/h3-8H,1-2H3;2*3-5,7H,6H2,1-2H3;3-7H,2H2,1H3;3H2,1-2H3;2*1-5H;2*3H,2H2,1H3;2*1-4H;3*2-3H,1H3;2*1-3H;6*3H2,1-2H3;3*1-2H3.

What are the key properties of cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)?

cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole) has a molecular weight of 2140.48 g/mol, XLogP of 33.60, 11 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole) is sourced from PubChem (CID 157122711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).