(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

C11H14FN3OS — CID 105387522

IUPAC(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(N)c2F)CCS1
InChIInChI=1S/C11H14FN3OS/c1-7-6-15(4-5-17-7)11(16)8-2-3-14-10(13)9(8)12/h2-3,7H,4-6H2,1H3,(H2,13,14)
InChIKeyISHFUFZCHUVTGH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.38
Rot. Bonds1

About (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone

(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 105387522) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID105387522
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(N)c2F)CCS1
InChIInChI=1S/C11H14FN3OS/c1-7-6-15(4-5-17-7)11(16)8-2-3-14-10(13)9(8)12/h2-3,7H,4-6H2,1H3,(H2,13,14)
InChIKeyISHFUFZCHUVTGH-UHFFFAOYSA-N
XLogP1.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 107363058
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115696759
(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 105386166
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
(2-amino-3-fluoro-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 105386193
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 166259518
(2-bromo-4-methylphenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115766000
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone (CID 105387522) is (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2ccnc(N)c2F)CCS1.
What is the InChIKey of (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is ISHFUFZCHUVTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c1-7-6-15(4-5-17-7)11(16)8-2-3-14-10(13)9(8)12/h2-3,7H,4-6H2,1H3,(H2,13,14).
What are the key properties of (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone?
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 105387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).