2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole

C20H15F3N2OS — CID 21350354

IUPAC2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4nccs4)=N3)cc2)cc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)26-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(25-17)19-24-11-12-27-19/h1-8,11-12,17H,9-10H2
InChIKeyTZQGHHDFCJDHNW-UHFFFAOYSA-N
MW388.41 g/mol
LogP6.03
Rot. Bonds4

About 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole

2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole (PubChem CID 21350354) has the molecular formula C20H15F3N2OS and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole
PubChem CID21350354
Molecular FormulaC20H15F3N2OS
Molecular Weight388.41 g/mol
Exact Mass388.09
IUPAC Name2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4nccs4)=N3)cc2)cc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)26-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(25-17)19-24-11-12-27-19/h1-8,11-12,17H,9-10H2
InChIKeyTZQGHHDFCJDHNW-UHFFFAOYSA-N
XLogP6.03
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole (CID 21350354) is 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole is FC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4nccs4)=N3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole?
The InChIKey is TZQGHHDFCJDHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2OS/c21-20(22,23)26-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17-9-10-18(25-17)19-24-11-12-27-19/h1-8,11-12,17H,9-10H2.
What are the key properties of 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole?
2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole has a molecular weight of 388.41 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrol-5-yl]-1,3-thiazole is sourced from PubChem (CID 21350354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).