2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

C20H18FN5O3S — CID 43054266

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1/c(=N/NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)sc2ccccc21
InChIInChI=1S/C20H18FN5O3S/c1-20(12-7-9-13(21)10-8-12)17(28)26(18(29)22-20)11-16(27)23-24-19-25(2)14-5-3-4-6-15(14)30-19/h3-10H,11H2,1-2H3,(H,22,29)(H,23,27)/b24-19-
InChIKeyZPUBVIAFJNWAFT-CLCOLTQESA-N
MW427.46 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (PubChem CID 43054266) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
PubChem CID43054266
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1/c(=N/NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)sc2ccccc21
InChIInChI=1S/C20H18FN5O3S/c1-20(12-7-9-13(21)10-8-12)17(28)26(18(29)22-20)11-16(27)23-24-19-25(2)14-5-3-4-6-15(14)30-19/h3-10H,11H2,1-2H3,(H,22,29)(H,23,27)/b24-19-
InChIKeyZPUBVIAFJNWAFT-CLCOLTQESA-N
XLogP1.78
TPSA95.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8696373
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18099224
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide
CID 42948196
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 31334048
2,4-difluoro-N-[3-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 43054267
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 30550988
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 43042915
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47018997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (CID 43054266) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is Cn1/c(=N/NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)sc2ccccc21.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The InChIKey is ZPUBVIAFJNWAFT-CLCOLTQESA-N. The full InChI is InChI=1S/C20H18FN5O3S/c1-20(12-7-9-13(21)10-8-12)17(28)26(18(29)22-20)11-16(27)23-24-19-25(2)14-5-3-4-6-15(14)30-19/h3-10H,11H2,1-2H3,(H,22,29)(H,23,27)/b24-19-.
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide has a molecular weight of 427.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 43054266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).