ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C8H8N2O2S — CID 18405245

IUPACethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C8H8N2O2S/c1-2-12-8(11)5-3-6-7(10-5)9-4-13-6/h3-4,10H,2H2,1H3
InChIKeyBXACPZGBYFAFIX-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.80
Rot. Bonds2

About ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 18405245) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID18405245
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Nameethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C8H8N2O2S/c1-2-12-8(11)5-3-6-7(10-5)9-4-13-6/h3-4,10H,2H2,1H3
InChIKeyBXACPZGBYFAFIX-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 18405245) is ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1cc2scnc2[nH]1.
What is the InChIKey of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is BXACPZGBYFAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-2-12-8(11)5-3-6-7(10-5)9-4-13-6/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 196.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 18405245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).