N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide

C15H11N5O4S — CID 22534044

IUPACN'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H11N5O4S/c21-14(11-7-4-8-24-11)19-18-13-12(20(22)23)15(17-9-16-13)25-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,16,17,18)
InChIKeyZSVPYJFKRMZPEX-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.89
Rot. Bonds6

About N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide

N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide (PubChem CID 22534044) has the molecular formula C15H11N5O4S and a molecular weight of 357.35 g/mol. Its IUPAC name is N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
PubChem CID22534044
Molecular FormulaC15H11N5O4S
Molecular Weight357.35 g/mol
Exact Mass357.05
IUPAC NameN'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H11N5O4S/c21-14(11-7-4-8-24-11)19-18-13-12(20(22)23)15(17-9-16-13)25-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,16,17,18)
InChIKeyZSVPYJFKRMZPEX-UHFFFAOYSA-N
XLogP2.89
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
3-chloro-N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzohydrazide
CID 22534036
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536805
N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23481821
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide (CID 22534044) is N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide is O=C(NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide?
The InChIKey is ZSVPYJFKRMZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4S/c21-14(11-7-4-8-24-11)19-18-13-12(20(22)23)15(17-9-16-13)25-10-5-2-1-3-6-10/h1-9H,(H,19,21)(H,16,17,18).
What are the key properties of N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide?
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide has a molecular weight of 357.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide is sourced from PubChem (CID 22534044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).