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

C16H17N3O2S — CID 51032685

IUPACethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2CC)nc1C
InChIInChI=1S/C16H17N3O2S/c1-4-19-12-9-7-6-8-11(12)18-14(19)15-17-10(3)13(22-15)16(20)21-5-2/h6-9H,4-5H2,1-3H3
InChIKeyWIURZOAOTDWKPX-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.66
Rot. Bonds4

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

ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 51032685) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID51032685
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Nameethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2nc3ccccc3n2CC)nc1C
InChIInChI=1S/C16H17N3O2S/c1-4-19-12-9-7-6-8-11(12)18-14(19)15-17-10(3)13(22-15)16(20)21-5-2/h6-9H,4-5H2,1-3H3
InChIKeyWIURZOAOTDWKPX-UHFFFAOYSA-N
XLogP3.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 650946
Ethyl 2-methyl-4-(1,3-thiazol-2-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 156010696
4-Methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazole-5-carboxylic acid ethyl ester
CID 3214218
ethyl 2-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2916341
2-[2-(5-Benzotriazol-1-ylmethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 3184407
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-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 51032685) is ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2nc3ccccc3n2CC)nc1C.
What is the InChIKey of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is WIURZOAOTDWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-4-19-12-9-7-6-8-11(12)18-14(19)15-17-10(3)13(22-15)16(20)21-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 3.66, 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)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51032685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).