2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide

C16H18N4OS — CID 5143466

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C16H18N4OS/c1-11-9-12(2)18-16(17-11)22-10-15(21)20-19-13(3)14-7-5-4-6-8-14/h4-9,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyFPJCBUVERHBTNI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.48
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide (PubChem CID 5143466) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
PubChem CID5143466
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
SMILESC=C(NNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C16H18N4OS/c1-11-9-12(2)18-16(17-11)22-10-15(21)20-19-13(3)14-7-5-4-6-8-14/h4-9,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyFPJCBUVERHBTNI-UHFFFAOYSA-N
XLogP2.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 741406
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
CID 42996039
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509675

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide (CID 5143466) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide is C=C(NNC(=O)CSc1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
The InChIKey is FPJCBUVERHBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-9-12(2)18-16(17-11)22-10-15(21)20-19-13(3)14-7-5-4-6-8-14/h4-9,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide has a molecular weight of 314.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide is sourced from PubChem (CID 5143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).