5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C12H13N5S — CID 155909523

IUPAC5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(Cn2ccnc2-c2ncc[nH]2)s1
InChIInChI=1S/C12H13N5S/c1-8-10(18-9(2)16-8)7-17-6-5-15-12(17)11-13-3-4-14-11/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyYEFUYNFGMWEQPS-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.39
Rot. Bonds3

About 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 155909523) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID155909523
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(Cn2ccnc2-c2ncc[nH]2)s1
InChIInChI=1S/C12H13N5S/c1-8-10(18-9(2)16-8)7-17-6-5-15-12(17)11-13-3-4-14-11/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyYEFUYNFGMWEQPS-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
CID 15057077
3-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine;1,3,5-trifluoro-2,4,6-triiodobenzene
CID 139050437
dodecanedioic acid;bis(2-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]pyridine)
CID 139050439
2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 142566010
2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
CID 70653614
2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70733256
2-(1-benzylimidazol-2-yl)-4,5-dimethyl-1,3-thiazole
CID 44623037
2-(1H-imidazol-2-yl)-1-(1,2,2-triphenylethenyl)imidazole
CID 175205519
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100787
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708979
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 155909523) is 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(Cn2ccnc2-c2ncc[nH]2)s1.
What is the InChIKey of 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is YEFUYNFGMWEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-10(18-9(2)16-8)7-17-6-5-15-12(17)11-13-3-4-14-11/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 259.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 155909523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).