[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate

C12H14N2O4S — CID 70466919

IUPAC[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sc(OCCn2ccnc2)cc1C
InChIInChI=1S/C12H14N2O4S/c1-9-7-10(19-11(9)18-12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPHZSFYFXBVJJTP-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.48
Rot. Bonds5

About [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate

[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate (PubChem CID 70466919) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate
PubChem CID70466919
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sc(OCCn2ccnc2)cc1C
InChIInChI=1S/C12H14N2O4S/c1-9-7-10(19-11(9)18-12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPHZSFYFXBVJJTP-UHFFFAOYSA-N
XLogP2.48
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate
CID 13376234
ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate
CID 10378238
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
5-(2-imidazol-1-yl-1-iodoethoxy)-4-methylthiophene-2-carboxylic acid
CID 70465429
1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
CID 44828386
1-(2-methoxyethyl)imidazole
CID 14366840
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
dimethyl (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648818

Frequently Asked Questions

What is the IUPAC name of [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate?
The IUPAC name of [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate (CID 70466919) is [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate.
What is the SMILES notation for [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate?
The canonical SMILES for [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate is COC(=O)Oc1sc(OCCn2ccnc2)cc1C.
What is the InChIKey of [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate?
The InChIKey is PHZSFYFXBVJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9-7-10(19-11(9)18-12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate?
[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate has a molecular weight of 282.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate is sourced from PubChem (CID 70466919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).