4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one

C10H6N2O4S — CID 135802594

IUPAC4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H6N2O4S/c13-8-5-9(14)17-10(11-8)6-1-3-7(4-2-6)12(15)16/h1-5,13H
InChIKeyCUSDNFFUZMRSEL-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.78
Rot. Bonds2

About 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one

4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one (PubChem CID 135802594) has the molecular formula C10H6N2O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one
PubChem CID135802594
Molecular FormulaC10H6N2O4S
Molecular Weight250.24 g/mol
Exact Mass250.00
IUPAC Name4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H6N2O4S/c13-8-5-9(14)17-10(11-8)6-1-3-7(4-2-6)12(15)16/h1-5,13H
InChIKeyCUSDNFFUZMRSEL-UHFFFAOYSA-N
XLogP1.78
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
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-2-phenyl-1,3-thiazin-6-one;4-nitrobenzoic acid
CID 135856037
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
4,7-dimethyl-2-(4-nitrophenyl)-5,6-dihydro-1,3-benzothiazole
CID 142318792
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]acetic acid
CID 64662696
1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544117
methyl-[3-(4-nitrophenyl)-1,4,2-dithiazol-5-ylidene]sulfanium
CID 10089745
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
ethyl 5-methyl-2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526178
ethyl 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 3824379
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 79153259
2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140345

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one?
The IUPAC name of 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one (CID 135802594) is 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one is O=c1cc(O)nc(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one?
The InChIKey is CUSDNFFUZMRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S/c13-8-5-9(14)17-10(11-8)6-1-3-7(4-2-6)12(15)16/h1-5,13H.
What are the key properties of 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one?
4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one has a molecular weight of 250.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one is sourced from PubChem (CID 135802594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).