6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C14H9F3N2OS2 — CID 11588177

IUPAC6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESNC(=O)c1[nH]c2ccsc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)7-3-1-2-4-9(7)22-12-10(13(18)20)19-8-5-6-21-11(8)12/h1-6,19H,(H2,18,20)
InChIKeyHPKXRVROTCZNPM-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.50
Rot. Bonds3

About 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 11588177) has the molecular formula C14H9F3N2OS2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID11588177
Molecular FormulaC14H9F3N2OS2
Molecular Weight342.37 g/mol
Exact Mass342.01
IUPAC Name6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESNC(=O)c1[nH]c2ccsc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F3N2OS2/c15-14(16,17)7-3-1-2-4-9(7)22-12-10(13(18)20)19-8-5-6-21-11(8)12/h1-6,19H,(H2,18,20)
InChIKeyHPKXRVROTCZNPM-UHFFFAOYSA-N
XLogP4.50
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11439118
2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
CID 174533177
7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
CID 168966904
2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
CID 22155981
2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
CID 175249422
3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 151410207
2-[4-[2-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
CID 64928181
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
S-[2-(trifluoromethyl)phenyl] N,N-dimethylcarbamothioate
CID 14795411
2-[2-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 62314732
3-[2-(trifluoromethyl)phenyl]thiophen-2-amine
CID 117222528
2-[2-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62315096

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 11588177) is 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is NC(=O)c1[nH]c2ccsc2c1Sc1ccccc1C(F)(F)F.
What is the InChIKey of 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HPKXRVROTCZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS2/c15-14(16,17)7-3-1-2-4-9(7)22-12-10(13(18)20)19-8-5-6-21-11(8)12/h1-6,19H,(H2,18,20).
What are the key properties of 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 11588177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).