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

C19H17ClN4O2S — CID 95796392

IUPAC2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-13-5-4-8-15(9-13)23-11-21-19-24(12-23)18(26)16(27-19)10-17(25)22-14-6-2-1-3-7-14/h1-9,16H,10-12H2,(H,22,25)/t16-/m1/s1
InChIKeyGVSLYRKBBKHZOU-MRXNPFEDSA-N
MW400.89 g/mol
LogP3.40
Rot. Bonds4

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

2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide (PubChem CID 95796392) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide
PubChem CID95796392
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-13-5-4-8-15(9-13)23-11-21-19-24(12-23)18(26)16(27-19)10-17(25)22-14-6-2-1-3-7-14/h1-9,16H,10-12H2,(H,22,25)/t16-/m1/s1
InChIKeyGVSLYRKBBKHZOU-MRXNPFEDSA-N
XLogP3.40
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 53264892
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(4-fluorophenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 28976953
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53264943
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
2-hydroxy-5-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]benzoic acid
CID 27404541
2-hydroxy-4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoic acid
CID 43826898
N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide?
The IUPAC name of 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide (CID 95796392) is 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide is O=C(C[C@H]1SC2=NCN(c3cccc(Cl)c3)CN2C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide?
The InChIKey is GVSLYRKBBKHZOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-13-5-4-8-15(9-13)23-11-21-19-24(12-23)18(26)16(27-19)10-17(25)22-14-6-2-1-3-7-14/h1-9,16H,10-12H2,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide?
2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide has a molecular weight of 400.89 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-3-(3-chlorophenyl)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-yl]-N-phenylacetamide is sourced from PubChem (CID 95796392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).