N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C17H20Cl2FN3O2S — CID 119941203

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C17H18FN3O2S.2ClH/c18-12-1-4-15(5-2-12)23-17-6-3-13(10-20-17)21-16(22)9-14-11-24-8-7-19-14;;/h1-6,10,14,19H,7-9,11H2,(H,21,22);2*1H
InChIKeyPLCTYYVTCURFIV-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.89
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941203) has the molecular formula C17H20Cl2FN3O2S and a molecular weight of 420.34 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941203
Molecular FormulaC17H20Cl2FN3O2S
Molecular Weight420.34 g/mol
Exact Mass419.06
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C17H18FN3O2S.2ClH/c18-12-1-4-15(5-2-12)23-17-6-3-13(10-20-17)21-16(22)9-14-11-24-8-7-19-14;;/h1-6,10,14,19H,7-9,11H2,(H,21,22);2*1H
InChIKeyPLCTYYVTCURFIV-UHFFFAOYSA-N
XLogP3.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941201
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941203) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is PLCTYYVTCURFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S.2ClH/c18-12-1-4-15(5-2-12)23-17-6-3-13(10-20-17)21-16(22)9-14-11-24-8-7-19-14;;/h1-6,10,14,19H,7-9,11H2,(H,21,22);2*1H.
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 420.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).