amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

C10H7N3O4S — CID 66826514

IUPACamino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
SMILESNOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H7N3O4S/c11-17-10(14)8-5-12-9(18-8)6-1-3-7(4-2-6)13(15)16/h1-5H,11H2
InChIKeyQUWFNKPSBRPIMK-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.75
Rot. Bonds3

About amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 66826514) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameamino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
PubChem CID66826514
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Nameamino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
SMILESNOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H7N3O4S/c11-17-10(14)8-5-12-9(18-8)6-1-3-7(4-2-6)13(15)16/h1-5H,11H2
InChIKeyQUWFNKPSBRPIMK-UHFFFAOYSA-N
XLogP1.75
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
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
ethyl 2-(3-nitro-1H-indol-5-yl)-1,3-thiazole-5-carboxylate
CID 68754952
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140345
4-hydroxy-2-(4-nitrophenyl)-1,3-thiazin-6-one
CID 135802594
(4-nitrophenyl) N-[4-[5-(4-acetamido-2-methylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]carbamate
CID 142516766
N-[1-amino-3-(4-nitrophenyl)propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
CID 53252159
4-nitropyridine;hydrate
CID 132647818
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
CID 21100331

Frequently Asked Questions

What is the IUPAC name of amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate (CID 66826514) is amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate is NOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is QUWFNKPSBRPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c11-17-10(14)8-5-12-9(18-8)6-1-3-7(4-2-6)13(15)16/h1-5H,11H2.
What are the key properties of amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 265.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66826514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).