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

C14H13N3O2S — CID 51032806

IUPACethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-20-13(16-10)12-15-9-6-4-5-7-11(9)17(12)2/h4-8H,3H2,1-2H3
InChIKeyPIBZBWXHWMADSQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.87
Rot. Bonds3

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

ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 51032806) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID51032806
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-20-13(16-10)12-15-9-6-4-5-7-11(9)17(12)2/h4-8H,3H2,1-2H3
InChIKeyPIBZBWXHWMADSQ-UHFFFAOYSA-N
XLogP2.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.87
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
Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 1480574
Propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067630
Imidazo[2,1-b]benzothiazole-3-carboxylic acid ethyl ester
CID 10890197
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
Ethyl 2-[2-(1-methylbenzimidazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 51032679
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-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032807
Ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032808
Methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate
CID 164614623
2-[2-(4-methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 43168785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (CID 51032806) is ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2nc3ccccc3n2C)n1.
What is the InChIKey of ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is PIBZBWXHWMADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-20-13(16-10)12-15-9-6-4-5-7-11(9)17(12)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51032806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).