1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole

C53H87N17O3S2 — CID 161438290

About 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole

1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole (PubChem CID 161438290) has the molecular formula C53H87N17O3S2 and a molecular weight of 1074.53 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 161438290
• Molecular Formula: C53H87N17O3S2
• Molecular Weight: 1074.53 g/mol
• Exact Mass: 1073.66
• IUPAC Name: 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)c1nnnn1C.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C7H11NS.C6H11N3.2C6H10N2.2C6H9NO.C6H9NS.C5H10N4.C5H8N2O/c1-5(2)7-4-9-6(3)8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-7-6-3-8-5/h2*4-5H,1-3H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3
• InChIKey: VYXYDHGPZYDJSB-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 248.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.53
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole (CID 161438290) is 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nncn1C.CC(C)c1nnco1.CC(C)c1nnnn1C.Cc1nc(C(C)C)cs1.

What is the InChIKey of 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole?

The InChIKey is VYXYDHGPZYDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C6H11N3.2C6H10N2.2C6H9NO.C6H9NS.C5H10N4.C5H8N2O/c1-5(2)7-4-9-6(3)8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-7-6-3-8-5/h2*4-5H,1-3H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3.

What are the key properties of 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole?

1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 1074.53 g/mol, XLogP of 13.97, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161438290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).