N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide

C23H26N4O2S — CID 95796394

IUPACN-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide
SMILESCc1cc(C)cc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1
InChIInChI=1S/C23H26N4O2S/c1-14-5-6-19(17(4)8-14)25-21(28)11-20-22(29)27-13-26(12-24-23(27)30-20)18-9-15(2)7-16(3)10-18/h5-10,20H,11-13H2,1-4H3,(H,25,28)/t20-/m1/s1
InChIKeyFSLAGYZMDWGEOZ-HXUWFJFHSA-N
MW422.55 g/mol
LogP3.98
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide (PubChem CID 95796394) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide
PubChem CID95796394
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide
SMILESCc1cc(C)cc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1
InChIInChI=1S/C23H26N4O2S/c1-14-5-6-19(17(4)8-14)25-21(28)11-20-22(29)27-13-26(12-24-23(27)30-20)18-9-15(2)7-16(3)10-18/h5-10,20H,11-13H2,1-4H3,(H,25,28)/t20-/m1/s1
InChIKeyFSLAGYZMDWGEOZ-HXUWFJFHSA-N
XLogP3.98
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859781
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CID 95796392
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
N-(3,5-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264916
N-(2,4-dimethylphenyl)-2-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 6050944
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414
N-(2,4-dimethoxyphenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859796
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385
N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 53264833
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318827

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide (CID 95796394) is N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide is Cc1cc(C)cc(N2CN=C3S[C@H](CC(=O)Nc4ccc(C)cc4C)C(=O)N3C2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide?
The InChIKey is FSLAGYZMDWGEOZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-14-5-6-19(17(4)8-14)25-21(28)11-20-22(29)27-13-26(12-24-23(27)30-20)18-9-15(2)7-16(3)10-18/h5-10,20H,11-13H2,1-4H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(7R)-3-(3,5-dimethylphenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]acetamide is sourced from PubChem (CID 95796394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).