methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C12H7F3N2O2S2 — CID 135380501

IUPACmethyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1[nH]c2ncsc2c1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2S2/c1-19-11(18)7-6(8-10(17-7)16-4-21-8)5-2-3-20-9(5)12(13,14)15/h2-4,17H,1H3
InChIKeyUGEHDFTXNHLJPE-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.16
Rot. Bonds2

About methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 135380501) has the molecular formula C12H7F3N2O2S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID135380501
Molecular FormulaC12H7F3N2O2S2
Molecular Weight332.33 g/mol
Exact Mass331.99
IUPAC Namemethyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1[nH]c2ncsc2c1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2S2/c1-19-11(18)7-6(8-10(17-7)16-4-21-8)5-2-3-20-9(5)12(13,14)15/h2-4,17H,1H3
InChIKeyUGEHDFTXNHLJPE-UHFFFAOYSA-N
XLogP4.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 135380501) is methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is COC(=O)c1[nH]c2ncsc2c1-c1ccsc1C(F)(F)F.
What is the InChIKey of methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is UGEHDFTXNHLJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2S2/c1-19-11(18)7-6(8-10(17-7)16-4-21-8)5-2-3-20-9(5)12(13,14)15/h2-4,17H,1H3.
What are the key properties of methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 332.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 135380501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).