N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide

C16H13ClN4O2S — CID 22002458

IUPACN'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESCSc1nc(Cl)c(-c2ccccc2)c(NNC(=O)c2ccco2)n1
InChIInChI=1S/C16H13ClN4O2S/c1-24-16-18-13(17)12(10-6-3-2-4-7-10)14(19-16)20-21-15(22)11-8-5-9-23-11/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeyNYQXNZASZZOBNY-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.87
Rot. Bonds5

About N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide

N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide (PubChem CID 22002458) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide
PubChem CID22002458
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESCSc1nc(Cl)c(-c2ccccc2)c(NNC(=O)c2ccco2)n1
InChIInChI=1S/C16H13ClN4O2S/c1-24-16-18-13(17)12(10-6-3-2-4-7-10)14(19-16)20-21-15(22)11-8-5-9-23-11/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeyNYQXNZASZZOBNY-UHFFFAOYSA-N
XLogP3.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide
CID 11335027
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N'-[6-(3,4-dimethoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]furan-2-carbohydrazide
CID 67550483
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
CID 4646568
N-(4-oxo-6-phenyl-1,3-thiazin-2-yl)furan-2-carboxamide
CID 175842092
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22534044
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide (CID 22002458) is N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide is CSc1nc(Cl)c(-c2ccccc2)c(NNC(=O)c2ccco2)n1.
What is the InChIKey of N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide?
The InChIKey is NYQXNZASZZOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-24-16-18-13(17)12(10-6-3-2-4-7-10)14(19-16)20-21-15(22)11-8-5-9-23-11/h2-9H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide?
N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide has a molecular weight of 360.83 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide is sourced from PubChem (CID 22002458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).