[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

C15H15FN2O2S2 — CID 46068140

IUPAC[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCSCC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S2/c1-20-10-2-3-11(12(16)8-10)14-17-13(9-22-14)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3
InChIKeyWQCIVUMFZLMPKY-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.15
Rot. Bonds3

About [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone

[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 46068140) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID46068140
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCSCC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S2/c1-20-10-2-3-11(12(16)8-10)14-17-13(9-22-14)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3
InChIKeyWQCIVUMFZLMPKY-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46067140
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
[2-[2-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068126
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58924835
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 169498549
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone (CID 46068140) is [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is COc1ccc(-c2nc(C(=O)N3CCSCC3)cs2)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is WQCIVUMFZLMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c1-20-10-2-3-11(12(16)8-10)14-17-13(9-22-14)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 46068140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).