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

C15H15N3O2S — CID 51032808

IUPACethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2CC)n1
InChIInChI=1S/C15H15N3O2S/c1-3-18-12-8-6-5-7-10(12)16-13(18)14-17-11(9-21-14)15(19)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyMSJCXNFTRMWHSN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.36
Rot. Bonds4

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

ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 51032808) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID51032808
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2nc3ccccc3n2CC)n1
InChIInChI=1S/C15H15N3O2S/c1-3-18-12-8-6-5-7-10(12)16-13(18)14-17-11(9-21-14)15(19)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyMSJCXNFTRMWHSN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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
Propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067631
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-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032806
Ethyl 2-(1-benzylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 51032807
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 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate (CID 51032808) is ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2nc3ccccc3n2CC)n1.
What is the InChIKey of ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is MSJCXNFTRMWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-18-12-8-6-5-7-10(12)16-13(18)14-17-11(9-21-14)15(19)20-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).