2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone

C18H16F2N2OS2 — CID 159134942

IUPAC2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H16F2N2OS2/c19-12-5-4-11(8-13(12)20)9-15(23)16-10-14-17(24-16)25-18(21-14)22-6-2-1-3-7-22/h4-5,8,10H,1-3,6-7,9H2
InChIKeyKHJHGSHTKVRDFJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.05
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone

2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (PubChem CID 159134942) has the molecular formula C18H16F2N2OS2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
PubChem CID159134942
Molecular FormulaC18H16F2N2OS2
Molecular Weight378.47 g/mol
Exact Mass378.07
IUPAC Name2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H16F2N2OS2/c19-12-5-4-11(8-13(12)20)9-15(23)16-10-14-17(24-16)25-18(21-14)22-6-2-1-3-7-22/h4-5,8,10H,1-3,6-7,9H2
InChIKeyKHJHGSHTKVRDFJ-UHFFFAOYSA-N
XLogP5.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (CID 159134942) is 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is KHJHGSHTKVRDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS2/c19-12-5-4-11(8-13(12)20)9-15(23)16-10-14-17(24-16)25-18(21-14)22-6-2-1-3-7-22/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 378.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 159134942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).