5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide

C15H14ClN5O4S — CID 35572796

IUPAC5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
SMILESCCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14ClN5O4S/c1-2-7-26-15-17-8-10(16)12(18-15)14(23)20-19-13(22)9-5-3-4-6-11(9)21(24)25/h3-6,8H,2,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyCUIYOKFEDJQLMG-UHFFFAOYSA-N
MW395.83 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide

5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 35572796) has the molecular formula C15H14ClN5O4S and a molecular weight of 395.83 g/mol. Its IUPAC name is 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
PubChem CID35572796
Molecular FormulaC15H14ClN5O4S
Molecular Weight395.83 g/mol
Exact Mass395.05
IUPAC Name5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
SMILESCCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14ClN5O4S/c1-2-7-26-15-17-8-10(16)12(18-15)14(23)20-19-13(22)9-5-3-4-6-11(9)21(24)25/h3-6,8H,2,7H2,1H3,(H,19,22)(H,20,23)
InChIKeyCUIYOKFEDJQLMG-UHFFFAOYSA-N
XLogP2.62
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methylsulfanyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572798
5-bromo-N'-(2-chlorobenzoyl)-2-ethylsulfanylpyrimidine-4-carbohydrazide
CID 35342766
5-bromo-2-methylsulfonyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572801
5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 142741629
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide
CID 19119440
[(2-nitrobenzoyl)amino]urea
CID 61061190
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-nitrobenzamide
CID 19296653
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-(2-nitrobenzoyl)pyrazine-2-carbohydrazide
CID 3127347
N-[3-(chloromethyl)pentan-3-yl]-2-nitrobenzamide
CID 114304453
[(2-nitrobenzoyl)amino]thiourea
CID 65216747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide (CID 35572796) is 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide is CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is CUIYOKFEDJQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O4S/c1-2-7-26-15-17-8-10(16)12(18-15)14(23)20-19-13(22)9-5-3-4-6-11(9)21(24)25/h3-6,8H,2,7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide?
5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 395.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 35572796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).