1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine

C15H10N6O6S — CID 23118903

IUPAC1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10N6O6S/c22-19(23)11-8-12(20(24)25)14(13(9-11)21(26)27)17-18(15-16-6-7-28-15)10-4-2-1-3-5-10/h1-9,17H
InChIKeyLJRPHWJMPMIFHX-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.03
Rot. Bonds7

About 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine

1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine (PubChem CID 23118903) has the molecular formula C15H10N6O6S and a molecular weight of 402.35 g/mol. Its IUPAC name is 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine.

Molecular Properties

Compound Name1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
PubChem CID23118903
Molecular FormulaC15H10N6O6S
Molecular Weight402.35 g/mol
Exact Mass402.04
IUPAC Name1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10N6O6S/c22-19(23)11-8-12(20(24)25)14(13(9-11)21(26)27)17-18(15-16-6-7-28-15)10-4-2-1-3-5-10/h1-9,17H
InChIKeyLJRPHWJMPMIFHX-UHFFFAOYSA-N
XLogP4.03
TPSA157.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
CID 87086050
2-(4-methyl-2,6-dinitrophenyl)-1,1-diphenylhydrazine
CID 22895095
1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
CID 54248221
2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine
CID 3090119
1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
CID 172790717
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
6,8-dinitroquinoline
CID 11106850
3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
CID 4027518
1,1-bis[4-(3-ethylhexan-3-yl)phenyl]-2-(2,4,6-trinitrophenyl)hydrazine
CID 2724328
2-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
2,4-dinitro-N',N'-diphenylbenzohydrazide
CID 56698403
pyridin-2-amine;2,4,6-trinitrophenol
CID 54605967

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine?
The IUPAC name of 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine (CID 23118903) is 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine.
What is the SMILES notation for 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine?
The canonical SMILES for 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine is O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2nccs2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine?
The InChIKey is LJRPHWJMPMIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O6S/c22-19(23)11-8-12(20(24)25)14(13(9-11)21(26)27)17-18(15-16-6-7-28-15)10-4-2-1-3-5-10/h1-9,17H.
What are the key properties of 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine?
1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine has a molecular weight of 402.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine is sourced from PubChem (CID 23118903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).