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

C15H15N3S — CID 10635686

IUPAC5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(c2ccccc2)c2cnc[nH]2)s1
InChIInChI=1S/C15H15N3S/c1-10-15(19-11(2)18-10)14(13-8-16-9-17-13)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,16,17)
InChIKeyCMFPGVGDNSTVHK-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.66
Rot. Bonds3

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

5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 10635686) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID10635686
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(c2ccccc2)c2cnc[nH]2)s1
InChIInChI=1S/C15H15N3S/c1-10-15(19-11(2)18-10)14(13-8-16-9-17-13)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,16,17)
InChIKeyCMFPGVGDNSTVHK-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
CID 46222048
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961031
4-Ph-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10445847
6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
CID 9815610
4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-4-yl)-1H-imidazole
CID 9816063
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106

Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole (CID 10635686) is 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C(c2ccccc2)c2cnc[nH]2)s1.
What is the InChIKey of 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is CMFPGVGDNSTVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-15(19-11(2)18-10)14(13-8-16-9-17-13)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,16,17).
What are the key properties of 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole?
5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 269.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 10635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).