2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol

C11H11N5O3S — CID 168626376

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
SMILESCc1cc([N+](=O)[O-])cc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C11H11N5O3S/c1-6-2-8(16(18)19)3-7(10(6)17)4-13-15-11-14-9(12)5-20-11/h2-5,17H,12H2,1H3,(H,14,15)
InChIKeyXCTLHRQTOLZZGQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.09
Rot. Bonds4

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol (PubChem CID 168626376) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
PubChem CID168626376
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
SMILESCc1cc([N+](=O)[O-])cc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C11H11N5O3S/c1-6-2-8(16(18)19)3-7(10(6)17)4-13-15-11-14-9(12)5-20-11/h2-5,17H,12H2,1H3,(H,14,15)
InChIKeyXCTLHRQTOLZZGQ-UHFFFAOYSA-N
XLogP2.09
TPSA126.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 168625605
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
2-N-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628079
ethyl 1-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenyl]piperidine-4-carboxylate
CID 168626689
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
N-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenyl]acetamide
CID 168628252
ethyl 2-[2-[2-[(2-hydroxy-4,5-dimethyl-3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623470
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol (CID 168626376) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol is Cc1cc([N+](=O)[O-])cc(C=NNc2nc(N)cs2)c1O.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol?
The InChIKey is XCTLHRQTOLZZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-6-2-8(16(18)19)3-7(10(6)17)4-13-15-11-14-9(12)5-20-11/h2-5,17H,12H2,1H3,(H,14,15).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol has a molecular weight of 293.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol is sourced from PubChem (CID 168626376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).