ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate

C15H15N3O2S — CID 51032684

IUPACethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2C)nc1C
InChIInChI=1S/C15H15N3O2S/c1-4-20-15(19)12-9(2)16-14(21-12)13-17-10-7-5-6-8-11(10)18(13)3/h5-8H,4H2,1-3H3
InChIKeyWNCUIELWBFNEBB-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.18
Rot. Bonds3

About ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 51032684) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID51032684
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2C)nc1C
InChIInChI=1S/C15H15N3O2S/c1-4-20-15(19)12-9(2)16-14(21-12)13-17-10-7-5-6-8-11(10)18(13)3/h5-8H,4H2,1-3H3
InChIKeyWNCUIELWBFNEBB-UHFFFAOYSA-N
XLogP3.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2916341
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
Ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 51032679
2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51032680
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
Ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032808
2-(2-Methylbenzimidazol-1-yl)ethyl 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 53508631
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53540279
Ethyl 2-methyl-4-(1,3-thiazol-4-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 156009675
Methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate
CID 164614623

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate (CID 51032684) is ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2nc3ccccc3n2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is WNCUIELWBFNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-4-20-15(19)12-9(2)16-14(21-12)13-17-10-7-5-6-8-11(10)18(13)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).