4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride

C16H20ClFN2OS — CID 21394603

IUPAC4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCCCC2)s1
InChIInChI=1S/C16H19FN2OS.ClH/c17-13-6-4-12(5-7-13)15-14(21-16(20)18-15)8-11-19-9-2-1-3-10-19;/h4-7H,1-3,8-11H2,(H,18,20);1H
InChIKeyYFMCKTDLFYDNKV-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.69
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride

4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride (PubChem CID 21394603) has the molecular formula C16H20ClFN2OS and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride
PubChem CID21394603
Molecular FormulaC16H20ClFN2OS
Molecular Weight342.87 g/mol
Exact Mass342.10
IUPAC Name4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCCCC2)s1
InChIInChI=1S/C16H19FN2OS.ClH/c17-13-6-4-12(5-7-13)15-14(21-16(20)18-15)8-11-19-9-2-1-3-10-19;/h4-7H,1-3,8-11H2,(H,18,20);1H
InChIKeyYFMCKTDLFYDNKV-UHFFFAOYSA-N
XLogP3.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
CID 10202833
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 75204033
5-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 110830828
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
CID 75204034
4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 110180089
4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946415
1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 19760928
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
CID 70071282
6-(3-pyrrolidin-1-ylpropyl)-3H-1,3-benzothiazol-2-one
CID 22413482
2-[4-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 59920987
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 91517216

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride (CID 21394603) is 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride is Cl.O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCCCC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The InChIKey is YFMCKTDLFYDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS.ClH/c17-13-6-4-12(5-7-13)15-14(21-16(20)18-15)8-11-19-9-2-1-3-10-19;/h4-7H,1-3,8-11H2,(H,18,20);1H.
What are the key properties of 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride?
4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 21394603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).