2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole

C19H28N6S3 — CID 162299432

IUPAC2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nnc(C)s1
InChIInChI=1S/C5H8N2.2C5H7NS.C4H6N2S/c1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3
InChIKeyWSFYTLARRFEMLZ-UHFFFAOYSA-N
MW436.68 g/mol
LogP5.70
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole

2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole (PubChem CID 162299432) has the molecular formula C19H28N6S3 and a molecular weight of 436.68 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
PubChem CID162299432
Molecular FormulaC19H28N6S3
Molecular Weight436.68 g/mol
Exact Mass436.15
IUPAC Name2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nnc(C)s1
InChIInChI=1S/C5H8N2.2C5H7NS.C4H6N2S/c1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3
InChIKeyWSFYTLARRFEMLZ-UHFFFAOYSA-N
XLogP5.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-methyl-5-[2-[5-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazol-2-yl]ethyl]-1,3,4-thiadiazole
CID 131990544
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
2,5-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
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-tert-butyl-5-ethyl-1H-imidazole;4-tert-butyl-2H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole
CID 161872487
2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole
CID 161970151
1,3-dimethylcyclopenta-1,3-diene;bis(2,5-dimethyl-1H-imidazole);bis(2,4-dimethyl-1,3-thiazole)
CID 167706652
2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 174809992
N,N,N'-tris[(2-methyl-1H-imidazol-5-yl)methyl]-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 58621221

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole?
The IUPAC name of 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) is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole is Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nnc(C)s1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole?
The InChIKey is WSFYTLARRFEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2C5H7NS.C4H6N2S/c1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3/h3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole?
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole has a molecular weight of 436.68 g/mol, XLogP of 5.70, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 162299432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).