[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

C21H19FN2O3S2 — CID 142615585

IUPAC[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(NC3(c4ccc(F)cc4)CCC3)s2)c1
InChIInChI=1S/C21H19FN2O3S2/c1-29(26,27)17-5-2-4-14(12-17)19(25)18-13-23-20(28-18)24-21(10-3-11-21)15-6-8-16(22)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,24)
InChIKeyIOYPSDSDOLAWRU-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.41
Rot. Bonds6

About [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 142615585) has the molecular formula C21H19FN2O3S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID142615585
Molecular FormulaC21H19FN2O3S2
Molecular Weight430.53 g/mol
Exact Mass430.08
IUPAC Name[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cnc(NC3(c4ccc(F)cc4)CCC3)s2)c1
InChIInChI=1S/C21H19FN2O3S2/c1-29(26,27)17-5-2-4-14(12-17)19(25)18-13-23-20(28-18)24-21(10-3-11-21)15-6-8-16(22)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,24)
InChIKeyIOYPSDSDOLAWRU-UHFFFAOYSA-N
XLogP4.41
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone with MolForge

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Related Compounds

(2-Anilino-1,3-thiazol-5-yl)(4-fluorophenyl)methanone
CID 1482535
o-Tolyl-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 9998721
3-Fluoro-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442561
(3-Fluoro-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390118
(2-Ethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
CID 44390147
(2-Anilino-1,3-thiazol-5-yl)(phenyl)methanone
CID 1482526
4-Fluoro-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442587
(2-Anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
CID 122187242
1-(4-Fluorophenyl)-2-(4-methylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 10045909
N-(5-methyl-1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25475831
[2-(Cyclohexylamino)-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 172452543
4-tert-butyl-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]benzamide
CID 1184796

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (CID 142615585) is [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)c2cnc(NC3(c4ccc(F)cc4)CCC3)s2)c1.
What is the InChIKey of [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is IOYPSDSDOLAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S2/c1-29(26,27)17-5-2-4-14(12-17)19(25)18-13-23-20(28-18)24-21(10-3-11-21)15-6-8-16(22)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,24).
What are the key properties of [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 430.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 142615585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).