N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide

C14H14N4OS — CID 6180869

IUPACN-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N/N=C\c2ccccc2)ncn1
InChIInChI=1S/C14H14N4OS/c1-11-7-14(16-10-15-11)20-9-13(19)18-17-8-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19)/b17-8-
InChIKeyKTVVEQUGWFMUSE-IUXPMGMMSA-N
MW286.36 g/mol
LogP2.03
Rot. Bonds5

About N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide

N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 6180869) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide
PubChem CID6180869
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N/N=C\c2ccccc2)ncn1
InChIInChI=1S/C14H14N4OS/c1-11-7-14(16-10-15-11)20-9-13(19)18-17-8-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19)/b17-8-
InChIKeyKTVVEQUGWFMUSE-IUXPMGMMSA-N
XLogP2.03
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.03
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'}

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Related Compounds

N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
CID 5081435
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
CID 4684327
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
N-[(Z)-benzylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5422030
N-[(E)-benzylideneamino]-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 15576724
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5393530
N-[(E)-(4-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
CID 6880658
N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 840866
2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5410271

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide (CID 6180869) is N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide is Cc1cc(SCC(=O)N/N=C\c2ccccc2)ncn1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KTVVEQUGWFMUSE-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-11-7-14(16-10-15-11)20-9-13(19)18-17-8-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide?
N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 286.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 6180869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).