2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine

C63H102N12O2S — CID 162238165

About 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine

2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine (PubChem CID 162238165) has the molecular formula C63H102N12O2S and a molecular weight of 1091.66 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine
• PubChem CID: 162238165
• Molecular Formula: C63H102N12O2S
• Molecular Weight: 1091.66 g/mol
• Exact Mass: 1090.80
• IUPAC Name: 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine
• SMILES: CC(C)c1ccncc1.CC(C)n1cccn1.CN(C)Cc1cc(C(C)(C)C)on1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cnn(C(C)C)c1.Cc1nnc(C(C)(C)C)s1.Cc1occc1C(C)C
• InChI: InChI=1S/C10H18N2O.C9H13N.C8H14N2.C8H11N.C8H12O.C7H12N2S.C7H12N2.C6H10N2/c1-10(2,3)9-6-8(11-13-9)7-12(4)5;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-5-9-10(4)7(8)3;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5-8-9-6(10-5)7(2,3)4;1-6(2)9-5-7(3)4-8-9;1-6(2)8-5-3-4-7-8/h6H,7H2,1-5H3;4-7H,1-3H3;5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;1-4H3;4-6H,1-3H3;3-6H,1-2H3
• InChIKey: ZWIOGXNBUKPQEY-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 147.43 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.66
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine?

The IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine (CID 162238165) is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine.

What is the SMILES notation for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine?

The canonical SMILES for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine is CC(C)c1ccncc1.CC(C)n1cccn1.CN(C)Cc1cc(C(C)(C)C)on1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cnn(C(C)C)c1.Cc1nnc(C(C)(C)C)s1.Cc1occc1C(C)C.

What is the InChIKey of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine?

The InChIKey is ZWIOGXNBUKPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C9H13N.C8H14N2.C8H11N.C8H12O.C7H12N2S.C7H12N2.C6H10N2/c1-10(2,3)9-6-8(11-13-9)7-12(4)5;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-5-9-10(4)7(8)3;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5-8-9-6(10-5)7(2,3)4;1-6(2)9-5-7(3)4-8-9;1-6(2)8-5-3-4-7-8/h6H,7H2,1-5H3;4-7H,1-3H3;5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;1-4H3;4-6H,1-3H3;3-6H,1-2H3.

What are the key properties of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine?

2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine has a molecular weight of 1091.66 g/mol, XLogP of 16.70, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylmethanamine;1,5-dimethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylpyrazole;4-propan-2-ylpyridine is sourced from PubChem (CID 162238165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).