3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline

C11H13N5O2S — CID 80914336

IUPAC3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESNNc1cc(NCCc2nccs2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2S/c12-15-9-5-8(6-10(7-9)16(17)18)13-2-1-11-14-3-4-19-11/h3-7,13,15H,1-2,12H2
InChIKeyQHXLFSUGVQRPBW-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.99
Rot. Bonds6

About 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline

3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 80914336) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID80914336
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESNNc1cc(NCCc2nccs2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O2S/c12-15-9-5-8(6-10(7-9)16(17)18)13-2-1-11-14-3-4-19-11/h3-7,13,15H,1-2,12H2
InChIKeyQHXLFSUGVQRPBW-UHFFFAOYSA-N
XLogP1.99
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-N-methyl-5-nitro-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80828286
1-N-ethyl-5-nitro-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80827672
3-nitro-5-propan-2-yloxy-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 80731705
5-nitro-1-N-propyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 80807040
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
2-nitro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 115500322
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-nitroaniline
CID 80732133
3-methoxy-5-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 80723914
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 80914336) is 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is NNc1cc(NCCc2nccs2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is QHXLFSUGVQRPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-15-9-5-8(6-10(7-9)16(17)18)13-2-1-11-14-3-4-19-11/h3-7,13,15H,1-2,12H2.
What are the key properties of 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 279.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 80914336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).