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

C22H24FN5O2S — CID 163734133

IUPACN-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C)sc1C(=O)NCC1CC=CC=N1
InChIInChI=1S/C22H24FN5O2S/c1-14-12-27(13-16-6-8-17(23)9-7-16)22(30)28(14)21-26-15(2)19(31-21)20(29)25-11-18-5-3-4-10-24-18/h3-4,6-10,14,18H,5,11-13H2,1-2H3,(H,25,29)/t14-,18?/m0/s1
InChIKeyLCDHDANAHBIDGI-PIVQAISJSA-N
MW441.53 g/mol
LogP3.55
Rot. Bonds6

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

N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 163734133) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID163734133
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C)sc1C(=O)NCC1CC=CC=N1
InChIInChI=1S/C22H24FN5O2S/c1-14-12-27(13-16-6-8-17(23)9-7-16)22(30)28(14)21-26-15(2)19(31-21)20(29)25-11-18-5-3-4-10-24-18/h3-4,6-10,14,18H,5,11-13H2,1-2H3,(H,25,29)/t14-,18?/m0/s1
InChIKeyLCDHDANAHBIDGI-PIVQAISJSA-N
XLogP3.55
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 66661380
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-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
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-oxopyrrolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24801840
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481233
N-[(4-fluorophenyl)methyl]-4-methyl-2-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 143649244
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39892162
4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 66661137
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
2-[(4-fluorophenyl)methyl]-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119510084

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 163734133) is N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2C(=O)N(Cc3ccc(F)cc3)C[C@@H]2C)sc1C(=O)NCC1CC=CC=N1.
What is the InChIKey of N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LCDHDANAHBIDGI-PIVQAISJSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-14-12-27(13-16-6-8-17(23)9-7-16)22(30)28(14)21-26-15(2)19(31-21)20(29)25-11-18-5-3-4-10-24-18/h3-4,6-10,14,18H,5,11-13H2,1-2H3,(H,25,29)/t14-,18?/m0/s1.
What are the key properties of N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163734133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).