2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

C17H20FN3OS2 — CID 90621618

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C17H20FN3OS2/c18-14-3-5-15(6-4-14)24-12-16(22)20-10-13-2-1-8-21(11-13)17-19-7-9-23-17/h3-7,9,13H,1-2,8,10-12H2,(H,20,22)
InChIKeyJITANBRXYKJMNH-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.41
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 90621618) has the molecular formula C17H20FN3OS2 and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID90621618
Molecular FormulaC17H20FN3OS2
Molecular Weight365.50 g/mol
Exact Mass365.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C17H20FN3OS2/c18-14-3-5-15(6-4-14)24-12-16(22)20-10-13-2-1-8-21(11-13)17-19-7-9-23-17/h3-7,9,13H,1-2,8,10-12H2,(H,20,22)
InChIKeyJITANBRXYKJMNH-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621837
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 90621705
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (CID 90621618) is 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is O=C(CSc1ccc(F)cc1)NCC1CCCN(c2nccs2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is JITANBRXYKJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS2/c18-14-3-5-15(6-4-14)24-12-16(22)20-10-13-2-1-8-21(11-13)17-19-7-9-23-17/h3-7,9,13H,1-2,8,10-12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 90621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).