(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone

C14H13FN2O2S2 — CID 124617252

IUPAC(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1O)N1CCSC[C@H]1c1nccs1
InChIInChI=1S/C14H13FN2O2S2/c15-9-1-2-12(18)10(7-9)14(19)17-4-6-20-8-11(17)13-16-3-5-21-13/h1-3,5,7,11,18H,4,6,8H2/t11-/m0/s1
InChIKeyUCSHKUUHPFJLJB-NSHDSACASA-N
MW324.40 g/mol
LogP2.92
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone

(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone (PubChem CID 124617252) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone
PubChem CID124617252
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1O)N1CCSC[C@H]1c1nccs1
InChIInChI=1S/C14H13FN2O2S2/c15-9-1-2-12(18)10(7-9)14(19)17-4-6-20-8-11(17)13-16-3-5-21-13/h1-3,5,7,11,18H,4,6,8H2/t11-/m0/s1
InChIKeyUCSHKUUHPFJLJB-NSHDSACASA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-2-hydroxyphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 115299119
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
2-methoxy-4-[[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methyl]phenol
CID 129403491
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 72924061
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
CID 167808884
[2-(3-chloropropyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299551
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113281661

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone (CID 124617252) is (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone is O=C(c1cc(F)ccc1O)N1CCSC[C@H]1c1nccs1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone?
The InChIKey is UCSHKUUHPFJLJB-NSHDSACASA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c15-9-1-2-12(18)10(7-9)14(19)17-4-6-20-8-11(17)13-16-3-5-21-13/h1-3,5,7,11,18H,4,6,8H2/t11-/m0/s1.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone?
(5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone has a molecular weight of 324.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[(3S)-3-(1,3-thiazol-2-yl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 124617252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).