3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C66H121N13O3S5 — CID 159208447

About 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159208447) has the molecular formula C66H121N13O3S5 and a molecular weight of 1305.12 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 159208447
• Molecular Formula: C66H121N13O3S5
• Molecular Weight: 1305.12 g/mol
• Exact Mass: 1303.83
• IUPAC Name: 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1cc(C)sn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C5H7NS.C5H7N.2C4H6N2.3C4H5NO.4C4H5NS.10C2H6/c1-4-3-5(2)7-6-4;1-5-2-3-6-4-5;2*1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;10*1-2/h3H,1-2H3;2,4H,3H2,1H3;2*2-3H,1H3,(H,5,6);7*2-3H,1H3;10*1-2H3
• InChIKey: KQEKAQGLANOUCS-UHFFFAOYSA-N
• XLogP: 23.23
• TPSA: 212.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.12
LogP ≤ 5	23.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159208447) is 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

What is the SMILES notation for 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The canonical SMILES for 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1cc(C)sn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The InChIKey is KQEKAQGLANOUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C5H7N.2C4H6N2.3C4H5NO.4C4H5NS.10C2H6/c1-4-3-5(2)7-6-4;1-5-2-3-6-4-5;2*1-4-2-5-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;10*1-2/h3H,1-2H3;2,4H,3H2,1H3;2*2-3H,1H3,(H,5,6);7*2-3H,1H3;10*1-2H3.

What are the key properties of 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1305.12 g/mol, XLogP of 23.23, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-thiazole;ethane;bis(5-methyl-1H-imidazole);2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).