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

C7H6N2O2S — CID 67366831

IUPACmethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3
InChIKeyNNMYQMZSIGPQHV-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.41
Rot. Bonds1

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

methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 67366831) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID67366831
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Namemethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3
InChIKeyNNMYQMZSIGPQHV-UHFFFAOYSA-N
XLogP1.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 24815611
1-(4H-Pyrrolo[2,3-d]thiazol-5-yl)ethanone
CID 15665817
ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 18405245
methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 135380501
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 142758590
ethyl 2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 156196491
ethyl 2-(2-fluoro-4-methylphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 156224514
ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 175975947
Methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 134833708
2-(Trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82389311
methyl 4H-pyrrolo[2,3-d][1,3]selenazole-5-carboxylate
CID 44543981
4H-Pyrrolo[2,3-d]thiazole-5-carbaldehyde
CID 88977722

Frequently Asked Questions

What is the IUPAC name of methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 67366831) is methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is COC(=O)c1cc2scnc2[nH]1.
What is the InChIKey of methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is NNMYQMZSIGPQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3.
What are the key properties of methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 182.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 67366831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).