ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate

C13H15N3O2S — CID 56825366

IUPACethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/C=C/c2nccn2C)nc1C
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)12-9(2)15-11(19-12)6-5-10-14-7-8-16(10)3/h5-8H,4H2,1-3H3/b6-5+
InChIKeyIAIGUQDQXWKVFY-AATRIKPKSA-N
MW277.35 g/mol
LogP2.53
Rot. Bonds4

About ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate (PubChem CID 56825366) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
PubChem CID56825366
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nameethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/C=C/c2nccn2C)nc1C
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)12-9(2)15-11(19-12)6-5-10-14-7-8-16(10)3/h5-8H,4H2,1-3H3/b6-5+
InChIKeyIAIGUQDQXWKVFY-AATRIKPKSA-N
XLogP2.53
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-(3-oxoprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169459614
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate
CID 167991197
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
methyl 4-[(E)-2-(1-methylimidazol-2-yl)ethenyl]benzoate
CID 67046521
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 2740342
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 4-methyl-2-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 142196608
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate (CID 56825366) is ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(/C=C/c2nccn2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is IAIGUQDQXWKVFY-AATRIKPKSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-18-13(17)12-9(2)15-11(19-12)6-5-10-14-7-8-16(10)3/h5-8H,4H2,1-3H3/b6-5+.
What are the key properties of ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 56825366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).