tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole

C142H222ClFN32O2S10 — CID 158000790

About tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole

tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole (PubChem CID 158000790) has the molecular formula C142H222ClFN32O2S10 and a molecular weight of 2784.68 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158000790
• Molecular Formula: C142H222ClFN32O2S10
• Molecular Weight: 2784.68 g/mol
• Exact Mass: 2781.51
• IUPAC Name: tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncsc1Cl.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncns1.CC(C)c1nncs1.CC(C)n1cncn1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1ncn(C(C)C)n1.Cc1nnc(C(C)C)s1.Cn1cnc(C(C)(C)C)n1
• InChI: InChI=1S/C10H14.C9H12FN.C9H13N.C8H12N2.C7H10ClNS.C7H13N3.C7H12N2.3C7H11NS.C7H10O.C7H10S.2C6H11N3.C6H10N2S.C6H9NO.C6H9NS.C5H9N3.3C5H8N2S/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)5-6(8)10-4-9-5;1-7(2,3)6-8-5-10(4)9-6;1-6(2)7-8-4-5-9(7)3;1-7(2,3)6-4-9-5-8-6;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-6(2,3)5-7-4-8-9-5;1-5(2)9-4-7-6(3)8-9;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-7-6-3-8-5;2*1-4(2)5-6-3-7-8-5/h4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4H,1-3H3;5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*3-6H,1-2H3;4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: FDSAYHLZOCOAEB-UHFFFAOYSA-N
• XLogP: 42.42
• TPSA: 409.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 13
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2784.68
LogP ≤ 5	42.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole?

The IUPAC name of tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole (CID 158000790) is tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole is CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncsc1Cl.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncns1.CC(C)c1nncs1.CC(C)n1cncn1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1ncn(C(C)C)n1.Cc1nnc(C(C)C)s1.Cn1cnc(C(C)(C)C)n1.

What is the InChIKey of tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole?

The InChIKey is FDSAYHLZOCOAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12FN.C9H13N.C8H12N2.C7H10ClNS.C7H13N3.C7H12N2.3C7H11NS.C7H10O.C7H10S.2C6H11N3.C6H10N2S.C6H9NO.C6H9NS.C5H9N3.3C5H8N2S/c1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)5-6(8)10-4-9-5;1-7(2,3)6-8-5-10(4)9-6;1-6(2)7-8-4-5-9(7)3;1-7(2,3)6-4-9-5-8-6;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-6(2,3)5-7-4-8-9-5;1-5(2)9-4-7-6(3)8-9;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-7-6-3-8-5;2*1-4(2)5-6-3-7-8-5/h4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4H,1-3H3;5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;2*3-6H,1-2H3;4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3;3*3-5H,1-2H3;3*3-4H,1-2H3.

What are the key properties of tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole?

tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2784.68 g/mol, XLogP of 42.42, 13 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-3-fluoropyridine;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);3-methyl-1-propan-2-yl-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158000790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).