2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

C15H15FN2O2S2 — CID 1301658

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1
InChIInChI=1S/C15H15FN2O2S2/c16-12-3-1-11(2-4-12)13-9-21-15(17-13)22-10-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8,10H2
InChIKeyYWDYHSIFEZAWGW-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.90
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 1301658) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID1301658
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1
InChIInChI=1S/C15H15FN2O2S2/c16-12-3-1-11(2-4-12)13-9-21-15(17-13)22-10-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8,10H2
InChIKeyYWDYHSIFEZAWGW-UHFFFAOYSA-N
XLogP2.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
{4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-morpholin-4-yl-methanone
CID 654461
2-((2-morpholino-2-oxoethyl)thio)-N-(4-phenylthiazol-2-yl)acetamide
CID 2158825
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl](morpholin-4-yl)methanone
CID 2968134
N-(2-methoxyethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 5115919
1-(2,6-Dimethylmorpholin-4-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 9551920
1-(2,6-Dimethylmorpholin-4-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 9551968
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 84239281
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 121503254

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 1301658) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is YWDYHSIFEZAWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c16-12-3-1-11(2-4-12)13-9-21-15(17-13)22-10-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8,10H2.
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 338.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 1301658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).