2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide

C21H18N4OS — CID 42996039

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
SMILESCc1cc(C)nc(SCC(=O)NN=C2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C21H18N4OS/c1-13-11-14(2)23-21(22-13)27-12-19(26)24-25-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyVCOYUHVFSLZIME-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.73
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide (PubChem CID 42996039) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
PubChem CID42996039
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide
SMILESCc1cc(C)nc(SCC(=O)NN=C2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C21H18N4OS/c1-13-11-14(2)23-21(22-13)27-12-19(26)24-25-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyVCOYUHVFSLZIME-UHFFFAOYSA-N
XLogP3.73
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 42996055
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
[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922797
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide (CID 42996039) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide is Cc1cc(C)nc(SCC(=O)NN=C2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide?
The InChIKey is VCOYUHVFSLZIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-11-14(2)23-21(22-13)27-12-19(26)24-25-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(fluoren-9-ylideneamino)acetamide has a molecular weight of 374.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 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-(fluoren-9-ylideneamino)acetamide is sourced from PubChem (CID 42996039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).