4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide

C15H15ClN4O2S — CID 40544516

IUPAC4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN4O2S/c1-9-7-10(2)18-15(17-9)23-8-13(21)19-20-14(22)11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGFKBVQMTRBGLIN-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.30
Rot. Bonds4

About 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide (PubChem CID 40544516) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
PubChem CID40544516
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN4O2S/c1-9-7-10(2)18-15(17-9)23-8-13(21)19-20-14(22)11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGFKBVQMTRBGLIN-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.30
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

4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 914061
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
N'-[2-(4-chlorophenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 24535782
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
N'-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]-4-chlorobenzohydrazide
CID 24670056
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
4-chloro-N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 864298
4-chloro-N'-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 1176169
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
4-chloro-N'-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 4261050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide (CID 40544516) is 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide is Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is GFKBVQMTRBGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-9-7-10(2)18-15(17-9)23-8-13(21)19-20-14(22)11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 350.83 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 40544516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).