1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one

C22H22FN3OS — CID 23740645

IUPAC1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2ccccc2F)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H22FN3OS/c23-19-11-5-4-10-18(19)20-16-28-22(24-17-8-2-1-3-9-17)26(20)15-7-14-25-13-6-12-21(25)27/h1-5,8-11,16H,6-7,12-15H2/b24-22-
InChIKeyDIBJZMPRUWMYJR-GYHWCHFESA-N
MW395.50 g/mol
LogP4.60
Rot. Bonds6

About 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one

1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (PubChem CID 23740645) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
PubChem CID23740645
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1c(-c2ccccc2F)cs/c1=N\c1ccccc1
InChIInChI=1S/C22H22FN3OS/c23-19-11-5-4-10-18(19)20-16-28-22(24-17-8-2-1-3-9-17)26(20)15-7-14-25-13-6-12-21(25)27/h1-5,8-11,16H,6-7,12-15H2/b24-22-
InChIKeyDIBJZMPRUWMYJR-GYHWCHFESA-N
XLogP4.60
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-(2-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 2418953
1-[3-[2-(4-phenoxyphenyl)imino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23798927
1-[3-[2-(2,6-dimethylphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23992378
1-[3-[4-(2,4-dichlorophenyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23990167
6-[2-(4-fluorophenyl)imino-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23857312
1,5-dimethyl-4-[[4-(4-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one
CID 23903150
1-[3-[4-(4-bromophenyl)-2-(2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23795975
N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 5183057
6-[2-(3,4-dimethylphenyl)imino-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23828577
6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42094373
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one
CID 139017187

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (CID 23740645) is 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1c(-c2ccccc2F)cs/c1=N\c1ccccc1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The InChIKey is DIBJZMPRUWMYJR-GYHWCHFESA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-19-11-5-4-10-18(19)20-16-28-22(24-17-8-2-1-3-9-17)26(20)15-7-14-25-13-6-12-21(25)27/h1-5,8-11,16H,6-7,12-15H2/b24-22-.
What are the key properties of 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one has a molecular weight of 395.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 23740645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).