N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

C23H23FN4O2S2 — CID 75192369

IUPACN-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C23H23FN4O2S2/c1-14-21(32-22(26-14)16-5-3-2-4-6-16)18-11-19(29)28-23(27-18)31-13-20(30)25-12-15-7-9-17(24)10-8-15/h2-10,18,23,27H,11-13H2,1H3,(H,25,30)(H,28,29)
InChIKeyMNHANEVYMXFFNL-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.74
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 75192369) has the molecular formula C23H23FN4O2S2 and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID75192369
Molecular FormulaC23H23FN4O2S2
Molecular Weight470.60 g/mol
Exact Mass470.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C23H23FN4O2S2/c1-14-21(32-22(26-14)16-5-3-2-4-6-16)18-11-19(29)28-23(27-18)31-13-20(30)25-12-15-7-9-17(24)10-8-15/h2-10,18,23,27H,11-13H2,1H3,(H,25,30)(H,28,29)
InChIKeyMNHANEVYMXFFNL-UHFFFAOYSA-N
XLogP3.74
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (CID 75192369) is N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is Cc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is MNHANEVYMXFFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S2/c1-14-21(32-22(26-14)16-5-3-2-4-6-16)18-11-19(29)28-23(27-18)31-13-20(30)25-12-15-7-9-17(24)10-8-15/h2-10,18,23,27H,11-13H2,1H3,(H,25,30)(H,28,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75192369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).