[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C19H18F3N3O2S2 — CID 47034276

IUPAC[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CCCC(C(F)(F)F)C3)cc2s1
InChIInChI=1S/C19H18F3N3O2S2/c1-27-13-7-3-2-6-12(13)23-18-24-16-14(29-18)9-15(28-16)17(26)25-8-4-5-11(10-25)19(20,21)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,23,24)
InChIKeyGECHHSXFNBCLRF-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.52
Rot. Bonds4

About [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 47034276) has the molecular formula C19H18F3N3O2S2 and a molecular weight of 441.50 g/mol. Its IUPAC name is [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID47034276
Molecular FormulaC19H18F3N3O2S2
Molecular Weight441.50 g/mol
Exact Mass441.08
IUPAC Name[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CCCC(C(F)(F)F)C3)cc2s1
InChIInChI=1S/C19H18F3N3O2S2/c1-27-13-7-3-2-6-12(13)23-18-24-16-14(29-18)9-15(28-16)17(26)25-8-4-5-11(10-25)19(20,21)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,23,24)
InChIKeyGECHHSXFNBCLRF-UHFFFAOYSA-N
XLogP5.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 47034276) is [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is COc1ccccc1Nc1nc2sc(C(=O)N3CCCC(C(F)(F)F)C3)cc2s1.
What is the InChIKey of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GECHHSXFNBCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S2/c1-27-13-7-3-2-6-12(13)23-18-24-16-14(29-18)9-15(28-16)17(26)25-8-4-5-11(10-25)19(20,21)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,23,24).
What are the key properties of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 441.50 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 47034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).