[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid

C10H7N3O5S — CID 87714368

IUPAC[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(Oc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H7N3O5S/c14-10(15)12-9-11-5-8(19-9)18-7-3-1-6(2-4-7)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKeyAIEPBZFBROAVMJ-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.93
Rot. Bonds4

About [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid

[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87714368) has the molecular formula C10H7N3O5S and a molecular weight of 281.25 g/mol. Its IUPAC name is [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87714368
Molecular FormulaC10H7N3O5S
Molecular Weight281.25 g/mol
Exact Mass281.01
IUPAC Name[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(Oc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H7N3O5S/c14-10(15)12-9-11-5-8(19-9)18-7-3-1-6(2-4-7)13(16)17/h1-5H,(H,11,12)(H,14,15)
InChIKeyAIEPBZFBROAVMJ-UHFFFAOYSA-N
XLogP2.93
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.93
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-bromo-6-(4-nitrophenoxy)-1,3-benzothiazol-2-yl]carbamic acid
CID 87824563
3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-nitrophenyl)urea
CID 177198430
ethyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198327
phenyl N-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198521
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
(4-nitrophenyl) N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]carbamate
CID 58958448
N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 86595596
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527

Frequently Asked Questions

What is the IUPAC name of [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid (CID 87714368) is [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1ncc(Oc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is AIEPBZFBROAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O5S/c14-10(15)12-9-11-5-8(19-9)18-7-3-1-6(2-4-7)13(16)17/h1-5H,(H,11,12)(H,14,15).
What are the key properties of [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid?
[5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 281.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-nitrophenoxy)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87714368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).