3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole

C81H139N15O3S2 — CID 159722616

About 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole

3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole (PubChem CID 159722616) has the molecular formula C81H139N15O3S2 and a molecular weight of 1435.24 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole
• PubChem CID: 159722616
• Molecular Formula: C81H139N15O3S2
• Molecular Weight: 1435.24 g/mol
• Exact Mass: 1434.06
• IUPAC Name: 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1cc(C)sn1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cnco1.Cc1cnsc1.Cc1cocn1.Cc1ncccn1.Cc1ncco1
• InChI: InChI=1S/3C6H7N.3C5H6N2.C5H7NS.C5H7N.3C4H5NO.C4H5NS.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-5-2-3-6-4-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-6-3-4;11*1-2/h3*2-5H,1H3;3*2-4H,1H3;3H,1-2H3;2,4H,3H2,1H3;4*2-3H,1H3;11*1-2H3
• InChIKey: NAFPUZAPLRRABL-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 232.24 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.24
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole?

The IUPAC name of 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole (CID 159722616) is 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole.

What is the SMILES notation for 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole?

The canonical SMILES for 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=C1.Cc1cc(C)sn1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cnccn1.Cc1cnco1.Cc1cnsc1.Cc1cocn1.Cc1ncccn1.Cc1ncco1.

What is the InChIKey of 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole?

The InChIKey is NAFPUZAPLRRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.3C5H6N2.C5H7NS.C5H7N.3C4H5NO.C4H5NS.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-5-2-3-6-4-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-6-3-4;11*1-2/h3*2-5H,1H3;3*2-4H,1H3;3H,1-2H3;2,4H,3H2,1H3;4*2-3H,1H3;11*1-2H3.

What are the key properties of 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole?

3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole has a molecular weight of 1435.24 g/mol, XLogP of 24.99, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-thiazole;ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;4-methyl-1,2-thiazole is sourced from PubChem (CID 159722616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).