2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

C16H18N4O2S — CID 135922797

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C16H18N4O2S/c1-10-8-11(2)18-16(17-10)23-9-15(22)20-19-12(3)13-4-6-14(21)7-5-13/h4-8,21H,9H2,1-3H3,(H,20,22)/b19-12-
InChIKeyRWCHBQFKHGRJPD-UNOMPAQXSA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135922797) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135922797
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C16H18N4O2S/c1-10-8-11(2)18-16(17-10)23-9-15(22)20-19-12(3)13-4-6-14(21)7-5-13/h4-8,21H,9H2,1-3H3,(H,20,22)/b19-12-
InChIKeyRWCHBQFKHGRJPD-UNOMPAQXSA-N
XLogP2.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922044
2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 136757662
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 4195477
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 136736774
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 135625924
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
CID 42996039
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (CID 135922797) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccc(O)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is RWCHBQFKHGRJPD-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-8-11(2)18-16(17-10)23-9-15(22)20-19-12(3)13-4-6-14(21)7-5-13/h4-8,21H,9H2,1-3H3,(H,20,22)/b19-12-.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135922797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).