5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide

C14H12BrClN4O2S — CID 35342766

IUPAC5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide
SMILESCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H12BrClN4O2S/c1-2-23-14-17-7-9(15)11(18-14)13(22)20-19-12(21)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyNKEYYQNIHSSIKX-UHFFFAOYSA-N
MW415.70 g/mol
LogP3.08
Rot. Bonds4

About 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide

5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 35342766) has the molecular formula C14H12BrClN4O2S and a molecular weight of 415.70 g/mol. Its IUPAC name is 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide
PubChem CID35342766
Molecular FormulaC14H12BrClN4O2S
Molecular Weight415.70 g/mol
Exact Mass413.96
IUPAC Name5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide
SMILESCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H12BrClN4O2S/c1-2-23-14-17-7-9(15)11(18-14)13(22)20-19-12(21)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyNKEYYQNIHSSIKX-UHFFFAOYSA-N
XLogP3.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 53.08
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

5-bromo-N-(2,5-dichlorophenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014297
5-bromo-N-(2,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 17014124
5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
CID 35572796
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
5-chloro-2-methylsulfanyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572798
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
5-bromo-N-[2-[(2,6-dichlorophenyl)hydrazinylidene]propyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 142514638
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 175980311
5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
CID 35342910
3-[(2-chlorobenzoyl)amino]-1,1-diethylurea
CID 14173554
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide (CID 35342766) is 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide is CCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is NKEYYQNIHSSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4O2S/c1-2-23-14-17-7-9(15)11(18-14)13(22)20-19-12(21)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide?
5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 415.70 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 35342766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).