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

C22H36N12S — CID 158935594

IUPAC2,5-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
SMILESCC1=NC(C)N=N1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1
InChIInChI=1S/C5H8N2.C5H7NS.3C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);3H,1-2H3
InChIKeyJJPLKWPDNVVKOV-UHFFFAOYSA-N
MW500.68 g/mol
LogP4.55
Rot. Bonds

About 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

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 (PubChem CID 158935594) has the molecular formula C22H36N12S and a molecular weight of 500.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID158935594
Molecular FormulaC22H36N12S
Molecular Weight500.68 g/mol
Exact Mass500.29
IUPAC Name2,5-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
SMILESCC1=NC(C)N=N1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1
InChIInChI=1S/C5H8N2.C5H7NS.3C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);3H,1-2H3
InChIKeyJJPLKWPDNVVKOV-UHFFFAOYSA-N
XLogP4.55
TPSA150.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
CID 160477394
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
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 162299432
5-tert-butyl-1H-imidazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
CID 165018153

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=NC(C)N=N1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.Cc1ncn(C)n1.
What is the InChIKey of 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?
The InChIKey is JJPLKWPDNVVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C5H7NS.3C4H7N3/c2*1-4-3-6-5(2)7-4;1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7);3H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 500.68 g/mol, XLogP of 4.55, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158935594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).