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

C18H17FN2OS2 — CID 159657618

IUPAC2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H17FN2OS2/c19-13-6-4-12(5-7-13)10-15(22)16-11-14-17(23-16)24-18(20-14)21-8-2-1-3-9-21/h4-7,11H,1-3,8-10H2
InChIKeyMSJKODCCBOTOBA-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.91
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (PubChem CID 159657618) has the molecular formula C18H17FN2OS2 and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
PubChem CID159657618
Molecular FormulaC18H17FN2OS2
Molecular Weight360.48 g/mol
Exact Mass360.08
IUPAC Name2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H17FN2OS2/c19-13-6-4-12(5-7-13)10-15(22)16-11-14-17(23-16)24-18(20-14)21-8-2-1-3-9-21/h4-7,11H,1-3,8-10H2
InChIKeyMSJKODCCBOTOBA-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159134942
(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol
CID 167069112
N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 118618312
N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide
CID 155310989
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 50841142
2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
CID 158881016
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597374
2-(4-fluorophenyl)-1-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 50945375
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone (CID 159657618) is 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is O=C(Cc1ccc(F)cc1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is MSJKODCCBOTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c19-13-6-4-12(5-7-13)10-15(22)16-11-14-17(23-16)24-18(20-14)21-8-2-1-3-9-21/h4-7,11H,1-3,8-10H2.
What are the key properties of 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone?
2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 360.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 159657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).