3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide

C15H18FN3O3S2 — CID 110631830

IUPAC3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3O3S2/c1-17-24(21,22)9-8-18-14(20)6-7-15-19-13(10-23-15)11-2-4-12(16)5-3-11/h2-5,10,17H,6-9H2,1H3,(H,18,20)
InChIKeyOFQXLIOKFSYFKM-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.55
Rot. Bonds8

About 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide

3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide (PubChem CID 110631830) has the molecular formula C15H18FN3O3S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
PubChem CID110631830
Molecular FormulaC15H18FN3O3S2
Molecular Weight371.46 g/mol
Exact Mass371.08
IUPAC Name3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3O3S2/c1-17-24(21,22)9-8-18-14(20)6-7-15-19-13(10-23-15)11-2-4-12(16)5-3-11/h2-5,10,17H,6-9H2,1H3,(H,18,20)
InChIKeyOFQXLIOKFSYFKM-UHFFFAOYSA-N
XLogP1.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110625112
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 86789142
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide (CID 110631830) is 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide is CNS(=O)(=O)CCNC(=O)CCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide?
The InChIKey is OFQXLIOKFSYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S2/c1-17-24(21,22)9-8-18-14(20)6-7-15-19-13(10-23-15)11-2-4-12(16)5-3-11/h2-5,10,17H,6-9H2,1H3,(H,18,20).
What are the key properties of 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide?
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 110631830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).