N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

C24H25FN4O2S — CID 143649244

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC2CCN(c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)C2=O)cc1
InChIInChI=1S/C24H25FN4O2S/c1-15-3-5-17(6-4-15)13-26-20-11-12-29(23(20)31)24-28-16(2)21(32-24)22(30)27-14-18-7-9-19(25)10-8-18/h3-10,20,26H,11-14H2,1-2H3,(H,27,30)
InChIKeyZCAUWXNVTRFYFK-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.72
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 143649244) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID143649244
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC2CCN(c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)C2=O)cc1
InChIInChI=1S/C24H25FN4O2S/c1-15-3-5-17(6-4-15)13-26-20-11-12-29(23(20)31)24-28-16(2)21(32-24)22(30)27-14-18-7-9-19(25)10-8-18/h3-10,20,26H,11-14H2,1-2H3,(H,27,30)
InChIKeyZCAUWXNVTRFYFK-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-cyclopropylethylamino)-2-oxopyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24801670
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
2-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24801840
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197
2-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56551918
N-benzyl-2-[3-(4-fluorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58031500
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 24799233
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 143649244) is N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC2CCN(c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)C2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZCAUWXNVTRFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-15-3-5-17(6-4-15)13-26-20-11-12-29(23(20)31)24-28-16(2)21(32-24)22(30)27-14-18-7-9-19(25)10-8-18/h3-10,20,26H,11-14H2,1-2H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143649244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).