(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H18F3N3OS — CID 3244734

IUPAC(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21
InChIInChI=1S/C19H18F3N3OS/c1-23-15-5-10-27-17(15)12-16(23)18(26)25-8-6-24(7-9-25)14-4-2-3-13(11-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3
InChIKeyLWSCACKGCDGOSH-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.22
Rot. Bonds2

About (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 3244734) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID3244734
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21
InChIInChI=1S/C19H18F3N3OS/c1-23-15-5-10-27-17(15)12-16(23)18(26)25-8-6-24(7-9-25)14-4-2-3-13(11-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3
InChIKeyLWSCACKGCDGOSH-UHFFFAOYSA-N
XLogP4.22
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(4-ethylthiadiazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 34829975
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(5-nitrothiophen-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 46489239
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 24559298
[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 120639500

Frequently Asked Questions

What is the IUPAC name of (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 3244734) is (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21.
What is the InChIKey of (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is LWSCACKGCDGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-23-15-5-10-27-17(15)12-16(23)18(26)25-8-6-24(7-9-25)14-4-2-3-13(11-14)19(20,21)22/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 393.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3244734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).