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

C22H20F2N4O2S2 — CID 75192394

IUPACN-(2,5-difluorophenyl)-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)Nc2cc(F)ccc2F)N1
InChIInChI=1S/C22H20F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-9,17,22,27H,10-11H2,1H3,(H,26,30)(H,28,29)
InChIKeyISVRRPXKJOIMDB-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.20
Rot. Bonds6

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

N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 75192394) has the molecular formula C22H20F2N4O2S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID75192394
Molecular FormulaC22H20F2N4O2S2
Molecular Weight474.56 g/mol
Exact Mass474.10
IUPAC NameN-(2,5-difluorophenyl)-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)Nc2cc(F)ccc2F)N1
InChIInChI=1S/C22H20F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-9,17,22,27H,10-11H2,1H3,(H,26,30)(H,28,29)
InChIKeyISVRRPXKJOIMDB-UHFFFAOYSA-N
XLogP4.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (CID 75192394) is N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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)Nc2cc(F)ccc2F)N1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is ISVRRPXKJOIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-16-9-14(23)7-8-15(16)24/h2-9,17,22,27H,10-11H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-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 474.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-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 75192394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).