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

C10H9N3O3S — CID 4058328

IUPAC2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol
SMILESCc1cc(-c2csc(N)n2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O3S/c1-5-2-6(7-4-17-10(11)12-7)9(14)8(3-5)13(15)16/h2-4,14H,1H3,(H2,11,12)
InChIKeyJURADKCGRFKLDO-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.31
Rot. Bonds2

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

2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol (PubChem CID 4058328) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol
PubChem CID4058328
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol
SMILESCc1cc(-c2csc(N)n2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O3S/c1-5-2-6(7-4-17-10(11)12-7)9(14)8(3-5)13(15)16/h2-4,14H,1H3,(H2,11,12)
InChIKeyJURADKCGRFKLDO-UHFFFAOYSA-N
XLogP2.31
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-Hydroxy-3-nitrobenzaldehyde (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135422608
4-Hydroxy-3-nitrobenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135454414
1,2-Benzenediol, 5-(2-amino-4-thiazolyl)-3-nitro-, monohydrobromide
CID 5747983
4-(4-Methoxy-3-nitrophenyl)-1,3-thiazol-2-amine
CID 738793
2-nitro-4-[(Z)-{2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135454356
(4Z)-2-Nitro-4-{[2-(4-phenyl-1,3-thiazol-2-yl)hydrazin-1-yl]methylidene}cyclohexa-2,5-dien-1-one
CID 135844173
Phenol, 2-(2-amino-4-thiazolyl)-4-methyl-
CID 11635017
4-Methyl-2-nitro-6-thiazol-4-yl-phenol
CID 381602
2-Nitro-4-[[(4-phenyl-2-thiazolyl)hydrazo]methylidene]-1-cyclohexa-2,5-dienone
CID 3608228
5-(2-Amino-1,3-thiazol-4-yl)-3-nitrobenzene-1,2-diol
CID 5747984
4-[[(4-Methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 3249238
4-[(E)-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 136732951

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol (CID 4058328) is 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol is Cc1cc(-c2csc(N)n2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol?
The InChIKey is JURADKCGRFKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-5-2-6(7-4-17-10(11)12-7)9(14)8(3-5)13(15)16/h2-4,14H,1H3,(H2,11,12).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol?
2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol has a molecular weight of 251.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol is sourced from PubChem (CID 4058328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).