N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide

C24H21FN4O2S2 — CID 59481214

IUPACN-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C24H21FN4O2S2/c1-15-12-21(29-11-10-28(24(29)31)14-16-6-8-17(25)9-7-16)33-22(15)23(30)26-13-20-27-18-4-2-3-5-19(18)32-20/h2-9,12H,10-11,13-14H2,1H3,(H,26,30)
InChIKeyRNWSKPBPWXONRJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.18
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide (PubChem CID 59481214) has the molecular formula C24H21FN4O2S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
PubChem CID59481214
Molecular FormulaC24H21FN4O2S2
Molecular Weight480.59 g/mol
Exact Mass480.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C24H21FN4O2S2/c1-15-12-21(29-11-10-28(24(29)31)14-16-6-8-17(25)9-7-16)33-22(15)23(30)26-13-20-27-18-4-2-3-5-19(18)32-20/h2-9,12H,10-11,13-14H2,1H3,(H,26,30)
InChIKeyRNWSKPBPWXONRJ-UHFFFAOYSA-N
XLogP5.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 59481210
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481266
1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58031490
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(3-methylimidazol-4-yl)propanoyl]thiophen-2-yl]imidazolidin-2-one
CID 58031413
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-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide (CID 59481214) is N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide is Cc1cc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is RNWSKPBPWXONRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S2/c1-15-12-21(29-11-10-28(24(29)31)14-16-6-8-17(25)9-7-16)33-22(15)23(30)26-13-20-27-18-4-2-3-5-19(18)32-20/h2-9,12H,10-11,13-14H2,1H3,(H,26,30).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 59481214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).