2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H15FN4O2S — CID 58031443

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(N)=O
InChIInChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)
InChIKeyQMQSPGPSUGTADW-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 58031443) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID58031443
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(N)=O
InChIInChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)
InChIKeyQMQSPGPSUGTADW-UHFFFAOYSA-N
XLogP2.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
US10065972, Example 281
CID 124152707
N-Benzyl-4-methyl-2-(2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24983663
N-benzyl-4-methyl-2-(2-oxo-4-phenethylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984128
N-benzyl-4-methyl-2-(2-oxo-4-phenylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984927
N-Benzyl-2-(4-methoxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 24985101
2-(4-Amino-2-oxopyridin-1(2H)-yl)-N-benzyl-4-methylthiazole-5-carboxamide
CID 24985270
N-Benzyl-4-methyl-2-(2-oxopyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985271
N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094597
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 25094599
(R)-N-benzyl-2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094874
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 58031443) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(N)=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QMQSPGPSUGTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58031443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).