N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide

C20H23FN8OS — CID 88917266

IUPACN-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1
InChIInChI=1S/C20H23FN8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27)
InChIKeyLNCHYKZNEHZFPN-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.82
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide (PubChem CID 88917266) has the molecular formula C20H23FN8OS and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
PubChem CID88917266
Molecular FormulaC20H23FN8OS
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1
InChIInChI=1S/C20H23FN8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27)
InChIKeyLNCHYKZNEHZFPN-UHFFFAOYSA-N
XLogP1.82
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide with MolForge

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Related Compounds

1-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]butan-2-one
CID 158877549
2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 174743507
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087
N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 70906740
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
N-[(4-fluorophenyl)methyl]-2-(1,3-oxazol-4-yl)acetamide
CID 110686255
N-[(4-fluorophenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108946407
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
5-methyl-N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide (CID 88917266) is N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide is CN1CCN(c2ncnc(Nc3ncc(CC(=O)NCc4ccc(F)cc4)s3)n2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is LNCHYKZNEHZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8OS/c1-28-6-8-29(9-7-28)19-25-13-24-18(26-19)27-20-23-12-16(31-20)10-17(30)22-11-14-2-4-15(21)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,22,30)(H,23,24,25,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 88917266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).