2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole

C46H79N19O2S2 — CID 158397876

About 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole

2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole (PubChem CID 158397876) has the molecular formula C46H79N19O2S2 and a molecular weight of 994.40 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole
• PubChem CID: 158397876
• Molecular Formula: C46H79N19O2S2
• Molecular Weight: 994.40 g/mol
• Exact Mass: 993.61
• IUPAC Name: 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nnc(N)s1.CC(C)c1nncn1C.CC(C)c1nnn(C)n1
• InChI: InChI=1S/3C6H11N3.2C6H9NO.C6H9NS.C5H10N4.C5H9N3S/c1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5;1-3(2)4-7-8-5(6)9-4/h3*4-5H,1-3H3;3*3-5H,1-2H3;4H,1-3H3;3H,1-2H3,(H2,6,8)
• InChIKey: GXSUGZDEFRWQFQ-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 252.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	994.40
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole (CID 158397876) is 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole is CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nnc(N)s1.CC(C)c1nncn1C.CC(C)c1nnn(C)n1.

What is the InChIKey of 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole?

The InChIKey is GXSUGZDEFRWQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11N3.2C6H9NO.C6H9NS.C5H10N4.C5H9N3S/c1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5;1-3(2)4-7-8-5(6)9-4/h3*4-5H,1-3H3;3*3-5H,1-2H3;4H,1-3H3;3H,1-2H3,(H2,6,8).

What are the key properties of 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole?

2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole has a molecular weight of 994.40 g/mol, XLogP of 10.26, 8 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3,4-thiadiazol-2-amine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).