N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine

C7H7N7O2S — CID 22531681

IUPACN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNNc1ncnc(Nc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N7O2S/c8-13-6-4(14(15)16)5(10-3-11-6)12-7-9-1-2-17-7/h1-3H,8H2,(H2,9,10,11,12,13)
InChIKeyVCOOHQXSQPVEKT-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.87
Rot. Bonds4

About N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine

N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 22531681) has the molecular formula C7H7N7O2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID22531681
Molecular FormulaC7H7N7O2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNNc1ncnc(Nc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N7O2S/c8-13-6-4(14(15)16)5(10-3-11-6)12-7-9-1-2-17-7/h1-3H,8H2,(H2,9,10,11,12,13)
InChIKeyVCOOHQXSQPVEKT-UHFFFAOYSA-N
XLogP0.87
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3,5-dichlorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23483559
N-(6-ethoxy-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22531713
6-N-(4-methoxyphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531668
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22526349
6-N-(2,4-dimethylphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23495422
6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23478973
4-N-benzhydryl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531679
6-N-(3-chlorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531660
6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22527520
4-N-methyl-5-nitro-4-N-phenyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22526939
4-N,4-N-dibenzyl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23488332
4-N-butyl-4-N-methyl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23491748

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine (CID 22531681) is N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine is NNc1ncnc(Nc2nccs2)c1[N+](=O)[O-].
What is the InChIKey of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is VCOOHQXSQPVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N7O2S/c8-13-6-4(14(15)16)5(10-3-11-6)12-7-9-1-2-17-7/h1-3H,8H2,(H2,9,10,11,12,13).
What are the key properties of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine?
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22531681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).