3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol

C10H9N5O3S — CID 168625605

IUPAC3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESNc1csc(NN=Cc2cc(O)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9N5O3S/c11-9-5-19-10(13-9)14-12-4-6-3-7(16)1-2-8(6)15(17)18/h1-5,16H,11H2,(H,13,14)
InChIKeyWOFAXWAHKVAKEQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.79
Rot. Bonds4

About 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol

3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 168625605) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID168625605
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESNc1csc(NN=Cc2cc(O)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9N5O3S/c11-9-5-19-10(13-9)14-12-4-6-3-7(16)1-2-8(6)15(17)18/h1-5,16H,11H2,(H,13,14)
InChIKeyWOFAXWAHKVAKEQ-UHFFFAOYSA-N
XLogP1.79
TPSA126.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-N-[(2-nitro-5-phenoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627847
2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627064
4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenoxy]butanoic acid
CID 168626304
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
2-N-[(3-fluoro-4-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625811
2-N-[(2,6-dichloro-3-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625690
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
CID 168626376
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252
2-N-[[3-nitro-4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628370
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627399

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol (CID 168625605) is 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol is Nc1csc(NN=Cc2cc(O)ccc2[N+](=O)[O-])n1.
What is the InChIKey of 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is WOFAXWAHKVAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c11-9-5-19-10(13-9)14-12-4-6-3-7(16)1-2-8(6)15(17)18/h1-5,16H,11H2,(H,13,14).
What are the key properties of 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol?
3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 279.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 168625605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).