ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate

C10H11NO2S — CID 155060092

IUPACethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cn2c1
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-4-9-11(6-8)5-7(2)14-9/h4-6H,3H2,1-2H3
InChIKeyMUUJFCUGBHCNGX-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.49
Rot. Bonds2

About ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate

ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 155060092) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID155060092
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Nameethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cn2c1
InChIInChI=1S/C10H11NO2S/c1-3-13-10(12)8-4-9-11(6-8)5-7(2)14-9/h4-6H,3H2,1-2H3
InChIKeyMUUJFCUGBHCNGX-UHFFFAOYSA-N
XLogP2.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
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ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
CID 67068234
ethyl 7-benzoylindolizine-2-carboxylate
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diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
CID 121224080
ethyl 2-bromo-6-oxo-1H-pyridine-4-carboxylate
CID 131188084
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-iodoindolizine-2-carboxylate
CID 140563617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate (CID 155060092) is ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate is CCOC(=O)c1cc2sc(C)cn2c1.
What is the InChIKey of ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is MUUJFCUGBHCNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-3-13-10(12)8-4-9-11(6-8)5-7(2)14-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate?
ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 155060092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).