cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole

C208H401N32O2S12+ — CID 157228387

About cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole

cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole (PubChem CID 157228387) has the molecular formula C208H401N32O2S12+ and a molecular weight of 3767.52 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole.

Molecular Properties

• Compound Name: cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole
• PubChem CID: 157228387
• Molecular Formula: C208H401N32O2S12+
• Molecular Weight: 3767.52 g/mol
• Exact Mass: 3763.89
• IUPAC Name: cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.C[C@@H]1CC[C@H](C)C1.C[C@H]1CCN(C)C1.Cc1c[n+](C)[nH]n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccn(C)n1.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1cscc1C.Cc1nnc(C)s1.Cc1nsc(C)n1.Cn1cccn1
• InChI: InChI=1S/2C7H15N.2C7H9N.C7H14.C6H14N2.2C6H8N2.C6H13N.C6H8O.6C6H8S.2C5H8N2.C5H7NO.4C5H7NS.2C4H7N3.2C4H6N2S.C4H6N2.26C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-7-3-5-8(2)6-4-7;2*1-5-3-7-6(2)8-4-5;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-5-3-7-4-6(5)2;2*1-5-3-6(2)7-4-5;2*1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;3*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-4-2-3-5-6;26*1-2/h2*7H,3-6H2,1-2H3;2*3-5H,1-2H3;6-7H,3-5H2,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;8*3-4H,1-2H3;3H,1-2H3,(H,6,7);7*3H,1-2H3;2*1-2H3;2-4H,1H3;26*1-2H3/p+1/t;;;;6-,7+;;;;6-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m........0............................................./s1
• InChIKey: LHQVCAVJSYYPOJ-QLYGJPJSSA-O
• XLogP: 66.79
• TPSA: 363.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 43
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3767.52
LogP ≤ 5	66.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole?

The IUPAC name of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole (CID 157228387) is cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole.

What is the SMILES notation for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole?

The canonical SMILES for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.C[C@@H]1CC[C@H](C)C1.C[C@H]1CCN(C)C1.Cc1c[n+](C)[nH]n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccn(C)n1.Cc1ccsc1C.Cc1ccsc1C.Cc1cn(C)nn1.Cc1cnc(C)[nH]1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)c1.Cc1csc(C)c1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1cscc1C.Cc1nnc(C)s1.Cc1nsc(C)n1.Cn1cccn1.

What is the InChIKey of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole?

The InChIKey is LHQVCAVJSYYPOJ-QLYGJPJSSA-O. The full InChI is InChI=1S/2C7H15N.2C7H9N.C7H14.C6H14N2.2C6H8N2.C6H13N.C6H8O.6C6H8S.2C5H8N2.C5H7NO.4C5H7NS.2C4H7N3.2C4H6N2S.C4H6N2.26C2H6/c2*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-7-3-5-8(2)6-4-7;2*1-5-3-7-6(2)8-4-5;1-6-3-4-7(2)5-6;1-5-3-4-6(2)7-5;1-5-3-7-4-6(5)2;2*1-5-3-6(2)7-4-5;2*1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;3*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-4-2-3-5-6;26*1-2/h2*7H,3-6H2,1-2H3;2*3-5H,1-2H3;6-7H,3-5H2,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;8*3-4H,1-2H3;3H,1-2H3,(H,6,7);7*3H,1-2H3;2*1-2H3;2-4H,1H3;26*1-2H3/p+1/t;;;;6-,7+;;;;6-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m........0............................................./s1.

What are the key properties of cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole?

cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole has a molecular weight of 3767.52 g/mol, XLogP of 66.79, 0 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-1,3-dimethylcyclopentane;2,5-dimethylfuran;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrazole;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);(3S)-1,3-dimethylpyrrolidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene;1,4-dimethyltriazole;1,4-dimethyl-2H-triazol-1-ium;ethane;1-methylpyrazole is sourced from PubChem (CID 157228387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).