ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate

C15H15N3O2S — CID 51032679

IUPACethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C15H15N3O2S/c1-3-20-13(19)8-10-9-21-15(16-10)14-17-11-6-4-5-7-12(11)18(14)2/h4-7,9H,3,8H2,1-2H3
InChIKeyYEDBYBXDSZWWJK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.80
Rot. Bonds4

About ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 51032679) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
PubChem CID51032679
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C15H15N3O2S/c1-3-20-13(19)8-10-9-21-15(16-10)14-17-11-6-4-5-7-12(11)18(14)2/h4-7,9H,3,8H2,1-2H3
InChIKeyYEDBYBXDSZWWJK-UHFFFAOYSA-N
XLogP2.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
n-Methylthiabendazole
CID 612049
{2-[2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 653429
3-(1-Phenylbenzimidazol-2-yl)sulfanyloxolan-2-one
CID 2999913
Imidazo[2,1-b]benzothiazole-2-acetic acid, ethyl ester
CID 12312084
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
Ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032805
3-(1-Propan-2-ylbenzimidazol-2-yl)sulfanyloxolan-2-one
CID 2998904
4-methyl-2-((2-(1-(tetrahydro-2H-pyran-4-yl)piperidin-3-yl)-1H-benzo[d]imidazol-1-yl)methyl)thiazole
CID 46888856
Ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 51032684
Ethyl 4-methyl-2-(1-propan-2-ylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 51032804
Ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate (CID 51032679) is ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2nc3ccccc3n2C)n1.
What is the InChIKey of ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is YEDBYBXDSZWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-20-13(19)8-10-9-21-15(16-10)14-17-11-6-4-5-7-12(11)18(14)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 301.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 51032679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).