4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol

C11H11N3O4S — CID 11601592

IUPAC4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)s1
InChIInChI=1S/C11H11N3O4S/c15-8-3-1-7(2-4-8)9(16)5-12-11-13-6-10(19-11)14(17)18/h1-4,6,9,15-16H,5H2,(H,12,13)
InChIKeyASMPDUABBZAJFC-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.90
Rot. Bonds5

About 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol

4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol (PubChem CID 11601592) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
PubChem CID11601592
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)s1
InChIInChI=1S/C11H11N3O4S/c15-8-3-1-7(2-4-8)9(16)5-12-11-13-6-10(19-11)14(17)18/h1-4,6,9,15-16H,5H2,(H,12,13)
InChIKeyASMPDUABBZAJFC-UHFFFAOYSA-N
XLogP1.90
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
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

2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 106171071
4-methyl-1-[(5-nitro-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 107153381
3-amino-4-[(5-nitro-1,3-thiazol-2-yl)amino]butan-2-ol
CID 102771365
4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
CID 11608792
N,2-dimethyl-N'-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102771459
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
4-ethyl-6-[(5-nitro-1,3-thiazol-2-yl)amino]hexanoic acid
CID 102769844
N-(4-methylpentyl)-5-nitro-1,3-thiazol-2-amine
CID 102770556
2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-phenylethanol
CID 102770772
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol (CID 11601592) is 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol is O=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)s1.
What is the InChIKey of 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol?
The InChIKey is ASMPDUABBZAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-8-3-1-7(2-4-8)9(16)5-12-11-13-6-10(19-11)14(17)18/h1-4,6,9,15-16H,5H2,(H,12,13).
What are the key properties of 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol?
4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol has a molecular weight of 281.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 11601592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).