bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

C24H37N9S2 — CID 160533929

IUPACbis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1n[nH]c(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NS.C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
InChIKeyQVXHIRFOEGROPP-UHFFFAOYSA-N
MW515.76 g/mol
LogP5.99
Rot. Bonds

About bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 160533929) has the molecular formula C24H37N9S2 and a molecular weight of 515.76 g/mol. Its IUPAC name is bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Namebis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
PubChem CID160533929
Molecular FormulaC24H37N9S2
Molecular Weight515.76 g/mol
Exact Mass515.26
IUPAC Namebis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1n[nH]c(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NS.C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
InChIKeyQVXHIRFOEGROPP-UHFFFAOYSA-N
XLogP5.99
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.76
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[11-(1H-imidazol-5-yl)-2,4,5,8,11-pentamethyl-8-(1,3-thiazol-4-yl)-5-(1,3-thiazol-5-yl)-2-(1H-1,2,4-triazol-5-yl)dodecan-4-yl]-1,3-thiazole
CID 155239287
2-[11-(1H-imidazol-5-yl)-2,3,5,8,11-pentamethyl-8-(1,3-thiazol-4-yl)-5-(1,3-thiazol-5-yl)-2-(1H-1,2,4-triazol-5-yl)dodecan-3-yl]-1,3-thiazole
CID 155239304
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157074534
2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)
CID 157217013
octakis(2-methylpropane);4-(2-methylpropyl)-2,3-dihydro-1H-triazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)
CID 157728123
ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 157770273
2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158402496
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;3,5-dimethyl-3H-1,2,4-triazole
CID 158935594
heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 159261719
2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
CID 159494040
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
CID 160477394
heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;bis(4-(2-methylpropyl)-2H-triazole);bis(5-(2-methylpropyl)-1H-1,2,4-triazole)
CID 160901637

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The IUPAC name of bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (CID 160533929) is bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.
What is the SMILES notation for bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The canonical SMILES for bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.
What is the InChIKey of bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The InChIKey is QVXHIRFOEGROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.2C5H7NS.C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7).
What are the key properties of bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 515.76 g/mol, XLogP of 5.99, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 160533929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).